1-[(3,5-dimethylphenyl)methoxy]-3-(1H-indol-3-yl)propan-2-amine

C20H24N2O — CID 10448006

IUPAC1-[(3,5-dimethylphenyl)methoxy]-3-(1H-indol-3-yl)propan-2-amine
SMILESCc1cc(C)cc(COCC(N)Cc2c[nH]c3ccccc23)c1
InChIInChI=1S/C20H24N2O/c1-14-7-15(2)9-16(8-14)12-23-13-18(21)10-17-11-22-20-6-4-3-5-19(17)20/h3-9,11,18,22H,10,12-13,21H2,1-2H3
InChIKeyLSAWEFOQDMPCLG-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.87
Rot. Bonds6

About 1-[(3,5-dimethylphenyl)methoxy]-3-(1H-indol-3-yl)propan-2-amine

1-[(3,5-dimethylphenyl)methoxy]-3-(1H-indol-3-yl)propan-2-amine (PubChem CID 10448006) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-[(3,5-dimethylphenyl)methoxy]-3-(1H-indol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-[(3,5-dimethylphenyl)methoxy]-3-(1H-indol-3-yl)propan-2-amine
PubChem CID10448006
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name1-[(3,5-dimethylphenyl)methoxy]-3-(1H-indol-3-yl)propan-2-amine
SMILESCc1cc(C)cc(COCC(N)Cc2c[nH]c3ccccc23)c1
InChIInChI=1S/C20H24N2O/c1-14-7-15(2)9-16(8-14)12-23-13-18(21)10-17-11-22-20-6-4-3-5-19(17)20/h3-9,11,18,22H,10,12-13,21H2,1-2H3
InChIKeyLSAWEFOQDMPCLG-UHFFFAOYSA-N
XLogP3.87
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylphenyl)methoxy]-3-(1H-indol-3-yl)propan-2-amine?
The IUPAC name of 1-[(3,5-dimethylphenyl)methoxy]-3-(1H-indol-3-yl)propan-2-amine (CID 10448006) is 1-[(3,5-dimethylphenyl)methoxy]-3-(1H-indol-3-yl)propan-2-amine.
What is the SMILES notation for 1-[(3,5-dimethylphenyl)methoxy]-3-(1H-indol-3-yl)propan-2-amine?
The canonical SMILES for 1-[(3,5-dimethylphenyl)methoxy]-3-(1H-indol-3-yl)propan-2-amine is Cc1cc(C)cc(COCC(N)Cc2c[nH]c3ccccc23)c1.
What is the InChIKey of 1-[(3,5-dimethylphenyl)methoxy]-3-(1H-indol-3-yl)propan-2-amine?
The InChIKey is LSAWEFOQDMPCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-14-7-15(2)9-16(8-14)12-23-13-18(21)10-17-11-22-20-6-4-3-5-19(17)20/h3-9,11,18,22H,10,12-13,21H2,1-2H3.
What are the key properties of 1-[(3,5-dimethylphenyl)methoxy]-3-(1H-indol-3-yl)propan-2-amine?
1-[(3,5-dimethylphenyl)methoxy]-3-(1H-indol-3-yl)propan-2-amine has a molecular weight of 308.43 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylphenyl)methoxy]-3-(1H-indol-3-yl)propan-2-amine is sourced from PubChem (CID 10448006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).