3-[dimethylamino(phenyl)methyl]-5-hydroxy-1H-indole-2-carboxylic acid;1-(1-ethyl-2-phenylindol-3-yl)-N,N-dimethyl-1-phenylmethanamine;1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-1-phenylmethanamine

C61H64N6O4 — CID 158552404

IUPAC3-[dimethylamino(phenyl)methyl]-5-hydroxy-1H-indole-2-carboxylic acid;1-(1-ethyl-2-phenylindol-3-yl)-N,N-dimethyl-1-phenylmethanamine;1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-1-phenylmethanamine
SMILESCCn1c(-c2ccccc2)c(C(c2ccccc2)N(C)C)c2ccccc21.CN(C)C(c1ccccc1)c1c(C(=O)O)[nH]c2ccc(O)cc12.COc1ccc2[nH]cc(C(c3ccccc3)N(C)C)c2c1
InChIInChI=1S/C25H26N2.C18H18N2O3.C18H20N2O/c1-4-27-22-18-12-11-17-21(22)23(25(27)20-15-9-6-10-16-20)24(26(2)3)19-13-7-5-8-14-19;1-20(2)17(11-6-4-3-5-7-11)15-13-10-12(21)8-9-14(13)19-16(15)18(22)23;1-20(2)18(13-7-5-4-6-8-13)16-12-19-17-10-9-14(21-3)11-15(16)17/h5-18,24H,4H2,1-3H3;3-10,17,19,21H,1-2H3,(H,22,23);4-12,18-19H,1-3H3
InChIKeyHPWOBZZMDVSQBK-UHFFFAOYSA-N
MW945.22 g/mol
LogP13.03
Rot. Bonds13

About 3-[dimethylamino(phenyl)methyl]-5-hydroxy-1H-indole-2-carboxylic acid;1-(1-ethyl-2-phenylindol-3-yl)-N,N-dimethyl-1-phenylmethanamine;1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-1-phenylmethanamine

3-[dimethylamino(phenyl)methyl]-5-hydroxy-1H-indole-2-carboxylic acid;1-(1-ethyl-2-phenylindol-3-yl)-N,N-dimethyl-1-phenylmethanamine;1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-1-phenylmethanamine (PubChem CID 158552404) has the molecular formula C61H64N6O4 and a molecular weight of 945.22 g/mol. Its IUPAC name is 3-[dimethylamino(phenyl)methyl]-5-hydroxy-1H-indole-2-carboxylic acid;1-(1-ethyl-2-phenylindol-3-yl)-N,N-dimethyl-1-phenylmethanamine;1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-1-phenylmethanamine.

Molecular Properties

Compound Name3-[dimethylamino(phenyl)methyl]-5-hydroxy-1H-indole-2-carboxylic acid;1-(1-ethyl-2-phenylindol-3-yl)-N,N-dimethyl-1-phenylmethanamine;1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-1-phenylmethanamine
PubChem CID158552404
Molecular FormulaC61H64N6O4
Molecular Weight945.22 g/mol
Exact Mass944.50
IUPAC Name3-[dimethylamino(phenyl)methyl]-5-hydroxy-1H-indole-2-carboxylic acid;1-(1-ethyl-2-phenylindol-3-yl)-N,N-dimethyl-1-phenylmethanamine;1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-1-phenylmethanamine
SMILESCCn1c(-c2ccccc2)c(C(c2ccccc2)N(C)C)c2ccccc21.CN(C)C(c1ccccc1)c1c(C(=O)O)[nH]c2ccc(O)cc12.COc1ccc2[nH]cc(C(c3ccccc3)N(C)C)c2c1
InChIInChI=1S/C25H26N2.C18H18N2O3.C18H20N2O/c1-4-27-22-18-12-11-17-21(22)23(25(27)20-15-9-6-10-16-20)24(26(2)3)19-13-7-5-8-14-19;1-20(2)17(11-6-4-3-5-7-11)15-13-10-12(21)8-9-14(13)19-16(15)18(22)23;1-20(2)18(13-7-5-4-6-8-13)16-12-19-17-10-9-14(21-3)11-15(16)17/h5-18,24H,4H2,1-3H3;3-10,17,19,21H,1-2H3,(H,22,23);4-12,18-19H,1-3H3
InChIKeyHPWOBZZMDVSQBK-UHFFFAOYSA-N
XLogP13.03
TPSA112.99 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500945.22
LogP ≤ 513.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 3-[dimethylamino(phenyl)methyl]-5-hydroxy-1H-indole-2-carboxylic acid;1-(1-ethyl-2-phenylindol-3-yl)-N,N-dimethyl-1-phenylmethanamine;1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-1-phenylmethanamine with MolForge

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Related Compounds

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2-[5-methoxy-2-(4-methylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid
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ethyl 5-methoxy-3-[(E)-3-oxo-3-pyridin-4-ylprop-1-enyl]-1H-indole-2-carboxylate
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methyl 5-methoxy-3-[(E)-3-oxo-3-pyridin-4-ylprop-1-enyl]-1H-indole-2-carboxylate
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propyl 5-methoxy-3-[(E)-3-oxo-3-pyridin-4-ylprop-1-enyl]-1H-indole-2-carboxylate
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Protoviolaceinate
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Frequently Asked Questions

What is the IUPAC name of 3-[dimethylamino(phenyl)methyl]-5-hydroxy-1H-indole-2-carboxylic acid;1-(1-ethyl-2-phenylindol-3-yl)-N,N-dimethyl-1-phenylmethanamine;1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-1-phenylmethanamine?
The IUPAC name of 3-[dimethylamino(phenyl)methyl]-5-hydroxy-1H-indole-2-carboxylic acid;1-(1-ethyl-2-phenylindol-3-yl)-N,N-dimethyl-1-phenylmethanamine;1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-1-phenylmethanamine (CID 158552404) is 3-[dimethylamino(phenyl)methyl]-5-hydroxy-1H-indole-2-carboxylic acid;1-(1-ethyl-2-phenylindol-3-yl)-N,N-dimethyl-1-phenylmethanamine;1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-1-phenylmethanamine.
What is the SMILES notation for 3-[dimethylamino(phenyl)methyl]-5-hydroxy-1H-indole-2-carboxylic acid;1-(1-ethyl-2-phenylindol-3-yl)-N,N-dimethyl-1-phenylmethanamine;1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-1-phenylmethanamine?
The canonical SMILES for 3-[dimethylamino(phenyl)methyl]-5-hydroxy-1H-indole-2-carboxylic acid;1-(1-ethyl-2-phenylindol-3-yl)-N,N-dimethyl-1-phenylmethanamine;1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-1-phenylmethanamine is CCn1c(-c2ccccc2)c(C(c2ccccc2)N(C)C)c2ccccc21.CN(C)C(c1ccccc1)c1c(C(=O)O)[nH]c2ccc(O)cc12.COc1ccc2[nH]cc(C(c3ccccc3)N(C)C)c2c1.
What is the InChIKey of 3-[dimethylamino(phenyl)methyl]-5-hydroxy-1H-indole-2-carboxylic acid;1-(1-ethyl-2-phenylindol-3-yl)-N,N-dimethyl-1-phenylmethanamine;1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-1-phenylmethanamine?
The InChIKey is HPWOBZZMDVSQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2.C18H18N2O3.C18H20N2O/c1-4-27-22-18-12-11-17-21(22)23(25(27)20-15-9-6-10-16-20)24(26(2)3)19-13-7-5-8-14-19;1-20(2)17(11-6-4-3-5-7-11)15-13-10-12(21)8-9-14(13)19-16(15)18(22)23;1-20(2)18(13-7-5-4-6-8-13)16-12-19-17-10-9-14(21-3)11-15(16)17/h5-18,24H,4H2,1-3H3;3-10,17,19,21H,1-2H3,(H,22,23);4-12,18-19H,1-3H3.
What are the key properties of 3-[dimethylamino(phenyl)methyl]-5-hydroxy-1H-indole-2-carboxylic acid;1-(1-ethyl-2-phenylindol-3-yl)-N,N-dimethyl-1-phenylmethanamine;1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-1-phenylmethanamine?
3-[dimethylamino(phenyl)methyl]-5-hydroxy-1H-indole-2-carboxylic acid;1-(1-ethyl-2-phenylindol-3-yl)-N,N-dimethyl-1-phenylmethanamine;1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-1-phenylmethanamine has a molecular weight of 945.22 g/mol, XLogP of 13.03, 13 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethylamino(phenyl)methyl]-5-hydroxy-1H-indole-2-carboxylic acid;1-(1-ethyl-2-phenylindol-3-yl)-N,N-dimethyl-1-phenylmethanamine;1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-1-phenylmethanamine is sourced from PubChem (CID 158552404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).