1-(5-chloro-1H-indol-3-yl)-N,N-dimethyl-1-phenylmethanamine;[3-[dimethylamino(phenyl)methyl]-1H-indol-4-yl] acetate;N,N-dimethyl-1-phenyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine

C60H61ClN6O3 — CID 159558167

IUPAC1-(5-chloro-1H-indol-3-yl)-N,N-dimethyl-1-phenylmethanamine;[3-[dimethylamino(phenyl)methyl]-1H-indol-4-yl] acetate;N,N-dimethyl-1-phenyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine
SMILESCC(=O)Oc1cccc2[nH]cc(C(c3ccccc3)N(C)C)c12.CN(C)C(c1ccccc1)c1c[nH]c2ccc(Cl)cc12.CN(C)C(c1ccccc1)c1c[nH]c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C24H24N2O.C19H20N2O2.C17H17ClN2/c1-26(2)24(19-11-7-4-8-12-19)22-16-25-23-14-13-20(15-21(22)23)27-17-18-9-5-3-6-10-18;1-13(22)23-17-11-7-10-16-18(17)15(12-20-16)19(21(2)3)14-8-5-4-6-9-14;1-20(2)17(12-6-4-3-5-7-12)15-11-19-16-9-8-13(18)10-14(15)16/h3-16,24-25H,17H2,1-2H3;4-12,19-20H,1-3H3;3-11,17,19H,1-2H3
InChIKeyMGGKCHNUBDHRCC-UHFFFAOYSA-N
MW949.64 g/mol
LogP13.61
Rot. Bonds13

About 1-(5-chloro-1H-indol-3-yl)-N,N-dimethyl-1-phenylmethanamine;[3-[dimethylamino(phenyl)methyl]-1H-indol-4-yl] acetate;N,N-dimethyl-1-phenyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine

1-(5-chloro-1H-indol-3-yl)-N,N-dimethyl-1-phenylmethanamine;[3-[dimethylamino(phenyl)methyl]-1H-indol-4-yl] acetate;N,N-dimethyl-1-phenyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine (PubChem CID 159558167) has the molecular formula C60H61ClN6O3 and a molecular weight of 949.64 g/mol. Its IUPAC name is 1-(5-chloro-1H-indol-3-yl)-N,N-dimethyl-1-phenylmethanamine;[3-[dimethylamino(phenyl)methyl]-1H-indol-4-yl] acetate;N,N-dimethyl-1-phenyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine.

Molecular Properties

Compound Name1-(5-chloro-1H-indol-3-yl)-N,N-dimethyl-1-phenylmethanamine;[3-[dimethylamino(phenyl)methyl]-1H-indol-4-yl] acetate;N,N-dimethyl-1-phenyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine
PubChem CID159558167
Molecular FormulaC60H61ClN6O3
Molecular Weight949.64 g/mol
Exact Mass948.45
IUPAC Name1-(5-chloro-1H-indol-3-yl)-N,N-dimethyl-1-phenylmethanamine;[3-[dimethylamino(phenyl)methyl]-1H-indol-4-yl] acetate;N,N-dimethyl-1-phenyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine
SMILESCC(=O)Oc1cccc2[nH]cc(C(c3ccccc3)N(C)C)c12.CN(C)C(c1ccccc1)c1c[nH]c2ccc(Cl)cc12.CN(C)C(c1ccccc1)c1c[nH]c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C24H24N2O.C19H20N2O2.C17H17ClN2/c1-26(2)24(19-11-7-4-8-12-19)22-16-25-23-14-13-20(15-21(22)23)27-17-18-9-5-3-6-10-18;1-13(22)23-17-11-7-10-16-18(17)15(12-20-16)19(21(2)3)14-8-5-4-6-9-14;1-20(2)17(12-6-4-3-5-7-12)15-11-19-16-9-8-13(18)10-14(15)16/h3-16,24-25H,17H2,1-2H3;4-12,19-20H,1-3H3;3-11,17,19H,1-2H3
InChIKeyMGGKCHNUBDHRCC-UHFFFAOYSA-N
XLogP13.61
TPSA92.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500949.64
LogP ≤ 513.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 1-(5-chloro-1H-indol-3-yl)-N,N-dimethyl-1-phenylmethanamine;[3-[dimethylamino(phenyl)methyl]-1H-indol-4-yl] acetate;N,N-dimethyl-1-phenyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1H-indol-3-yl)-N,N-dimethyl-1-phenylmethanamine;[3-[dimethylamino(phenyl)methyl]-1H-indol-4-yl] acetate;N,N-dimethyl-1-phenyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine?
The IUPAC name of 1-(5-chloro-1H-indol-3-yl)-N,N-dimethyl-1-phenylmethanamine;[3-[dimethylamino(phenyl)methyl]-1H-indol-4-yl] acetate;N,N-dimethyl-1-phenyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine (CID 159558167) is 1-(5-chloro-1H-indol-3-yl)-N,N-dimethyl-1-phenylmethanamine;[3-[dimethylamino(phenyl)methyl]-1H-indol-4-yl] acetate;N,N-dimethyl-1-phenyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine.
What is the SMILES notation for 1-(5-chloro-1H-indol-3-yl)-N,N-dimethyl-1-phenylmethanamine;[3-[dimethylamino(phenyl)methyl]-1H-indol-4-yl] acetate;N,N-dimethyl-1-phenyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine?
The canonical SMILES for 1-(5-chloro-1H-indol-3-yl)-N,N-dimethyl-1-phenylmethanamine;[3-[dimethylamino(phenyl)methyl]-1H-indol-4-yl] acetate;N,N-dimethyl-1-phenyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine is CC(=O)Oc1cccc2[nH]cc(C(c3ccccc3)N(C)C)c12.CN(C)C(c1ccccc1)c1c[nH]c2ccc(Cl)cc12.CN(C)C(c1ccccc1)c1c[nH]c2ccc(OCc3ccccc3)cc12.
What is the InChIKey of 1-(5-chloro-1H-indol-3-yl)-N,N-dimethyl-1-phenylmethanamine;[3-[dimethylamino(phenyl)methyl]-1H-indol-4-yl] acetate;N,N-dimethyl-1-phenyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine?
The InChIKey is MGGKCHNUBDHRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O.C19H20N2O2.C17H17ClN2/c1-26(2)24(19-11-7-4-8-12-19)22-16-25-23-14-13-20(15-21(22)23)27-17-18-9-5-3-6-10-18;1-13(22)23-17-11-7-10-16-18(17)15(12-20-16)19(21(2)3)14-8-5-4-6-9-14;1-20(2)17(12-6-4-3-5-7-12)15-11-19-16-9-8-13(18)10-14(15)16/h3-16,24-25H,17H2,1-2H3;4-12,19-20H,1-3H3;3-11,17,19H,1-2H3.
What are the key properties of 1-(5-chloro-1H-indol-3-yl)-N,N-dimethyl-1-phenylmethanamine;[3-[dimethylamino(phenyl)methyl]-1H-indol-4-yl] acetate;N,N-dimethyl-1-phenyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine?
1-(5-chloro-1H-indol-3-yl)-N,N-dimethyl-1-phenylmethanamine;[3-[dimethylamino(phenyl)methyl]-1H-indol-4-yl] acetate;N,N-dimethyl-1-phenyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine has a molecular weight of 949.64 g/mol, XLogP of 13.61, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1H-indol-3-yl)-N,N-dimethyl-1-phenylmethanamine;[3-[dimethylamino(phenyl)methyl]-1H-indol-4-yl] acetate;N,N-dimethyl-1-phenyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine is sourced from PubChem (CID 159558167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).