1-benzyl-N-[2-(1-methoxyethenyl)-4-methylphenyl]indol-5-amine

C25H24N2O — CID 138501004

IUPAC1-benzyl-N-[2-(1-methoxyethenyl)-4-methylphenyl]indol-5-amine
SMILESC=C(OC)c1cc(C)ccc1Nc1ccc2c(ccn2Cc2ccccc2)c1
InChIInChI=1S/C25H24N2O/c1-18-9-11-24(23(15-18)19(2)28-3)26-22-10-12-25-21(16-22)13-14-27(25)17-20-7-5-4-6-8-20/h4-16,26H,2,17H2,1,3H3
InChIKeyDFPQFHCGEFSCGZ-UHFFFAOYSA-N
MW368.48 g/mol
LogP6.36
Rot. Bonds6

About 1-benzyl-N-[2-(1-methoxyethenyl)-4-methylphenyl]indol-5-amine

1-benzyl-N-[2-(1-methoxyethenyl)-4-methylphenyl]indol-5-amine (PubChem CID 138501004) has the molecular formula C25H24N2O and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-benzyl-N-[2-(1-methoxyethenyl)-4-methylphenyl]indol-5-amine.

Molecular Properties

Compound Name1-benzyl-N-[2-(1-methoxyethenyl)-4-methylphenyl]indol-5-amine
PubChem CID138501004
Molecular FormulaC25H24N2O
Molecular Weight368.48 g/mol
Exact Mass368.19
IUPAC Name1-benzyl-N-[2-(1-methoxyethenyl)-4-methylphenyl]indol-5-amine
SMILESC=C(OC)c1cc(C)ccc1Nc1ccc2c(ccn2Cc2ccccc2)c1
InChIInChI=1S/C25H24N2O/c1-18-9-11-24(23(15-18)19(2)28-3)26-22-10-12-25-21(16-22)13-14-27(25)17-20-7-5-4-6-8-20/h4-16,26H,2,17H2,1,3H3
InChIKeyDFPQFHCGEFSCGZ-UHFFFAOYSA-N
XLogP6.36
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-[2-[(1-benzylindol-5-yl)amino]-5-methyl-3-pyridinyl]ethenol
CID 138501206
methyl 2-[(1-benzylindol-5-yl)amino]-5-(trifluoromethyl)benzoate
CID 90152875
2-[(1-benzylindol-5-yl)amino]-5-cyclopentylbenzoic acid
CID 90153225
1-benzyl-N-methylsulfonylindole-5-carboxamide
CID 171343054
1-benzyl-N-(6-cyclopropylpyridazin-3-yl)indol-5-amine
CID 142726467
methyl 1-[(3-methylphenyl)methyl]indole-5-carboxylate
CID 156703114
methyl 5-cyclopropyl-2-[[1-[(4-piperidin-1-ylphenyl)methyl]indol-5-yl]amino]benzoate
CID 90152634
5-methyl-1-(phenylmethoxymethyl)indole
CID 102940732
(1-benzylindol-5-yl)boronic acid
CID 134128465
1-benzyl-5-ethenylindole
CID 71373149
5-cyclopropyl-2-[[1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]indol-5-yl]amino]benzoic acid
CID 90152573
5-methyl-1-(pyridin-3-ylmethyl)indole
CID 116622934

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-(1-methoxyethenyl)-4-methylphenyl]indol-5-amine?
The IUPAC name of 1-benzyl-N-[2-(1-methoxyethenyl)-4-methylphenyl]indol-5-amine (CID 138501004) is 1-benzyl-N-[2-(1-methoxyethenyl)-4-methylphenyl]indol-5-amine.
What is the SMILES notation for 1-benzyl-N-[2-(1-methoxyethenyl)-4-methylphenyl]indol-5-amine?
The canonical SMILES for 1-benzyl-N-[2-(1-methoxyethenyl)-4-methylphenyl]indol-5-amine is C=C(OC)c1cc(C)ccc1Nc1ccc2c(ccn2Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-[2-(1-methoxyethenyl)-4-methylphenyl]indol-5-amine?
The InChIKey is DFPQFHCGEFSCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O/c1-18-9-11-24(23(15-18)19(2)28-3)26-22-10-12-25-21(16-22)13-14-27(25)17-20-7-5-4-6-8-20/h4-16,26H,2,17H2,1,3H3.
What are the key properties of 1-benzyl-N-[2-(1-methoxyethenyl)-4-methylphenyl]indol-5-amine?
1-benzyl-N-[2-(1-methoxyethenyl)-4-methylphenyl]indol-5-amine has a molecular weight of 368.48 g/mol, XLogP of 6.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-(1-methoxyethenyl)-4-methylphenyl]indol-5-amine is sourced from PubChem (CID 138501004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).