1-[(4-methoxyphenyl)methyl]indol-7-amine

C16H16N2O — CID 114935856

IUPAC1-[(4-methoxyphenyl)methyl]indol-7-amine
SMILESCOc1ccc(Cn2ccc3cccc(N)c32)cc1
InChIInChI=1S/C16H16N2O/c1-19-14-7-5-12(6-8-14)11-18-10-9-13-3-2-4-15(17)16(13)18/h2-10H,11,17H2,1H3
InChIKeyZQKIEIWAUUIRBE-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.28
Rot. Bonds3

About 1-[(4-methoxyphenyl)methyl]indol-7-amine

1-[(4-methoxyphenyl)methyl]indol-7-amine (PubChem CID 114935856) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]indol-7-amine.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]indol-7-amine
PubChem CID114935856
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name1-[(4-methoxyphenyl)methyl]indol-7-amine
SMILESCOc1ccc(Cn2ccc3cccc(N)c32)cc1
InChIInChI=1S/C16H16N2O/c1-19-14-7-5-12(6-8-14)11-18-10-9-13-3-2-4-15(17)16(13)18/h2-10H,11,17H2,1H3
InChIKeyZQKIEIWAUUIRBE-UHFFFAOYSA-N
XLogP3.28
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-methylphenyl)methyl]indol-7-amine
CID 114935703
1-[(2,6-dichlorophenyl)methyl]indol-7-amine
CID 114935944
amino (E)-3-[1-[(4-methoxyphenyl)methyl]indol-7-yl]prop-2-enoate
CID 58460253
1-[(3-methoxyphenyl)methyl]-7-methylindole
CID 123473530
1-[(6-methyl-2-pyridinyl)methyl]indol-7-amine
CID 114935790
methyl 2-(7-aminoindol-1-yl)acetate
CID 114935904
7-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]indole;4-[1-[(4-methoxyphenyl)methyl]indol-7-yl]benzonitrile
CID 123968185
1-(2-propoxyethyl)indol-7-amine
CID 106452734
2-[(4-aminophenyl)methyl]-6-methoxyisoquinolin-1-one
CID 82151488
6-methoxy-2-[(4-methoxyphenyl)methyl]isoquinolin-1-one
CID 127034647
1-[(4-fluoro-2-methylphenyl)methyl]indol-7-amine
CID 114935840
3-chloro-1-[(4-methoxyphenyl)methyl]pyridin-2-one
CID 141379797

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]indol-7-amine?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]indol-7-amine (CID 114935856) is 1-[(4-methoxyphenyl)methyl]indol-7-amine.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]indol-7-amine?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]indol-7-amine is COc1ccc(Cn2ccc3cccc(N)c32)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]indol-7-amine?
The InChIKey is ZQKIEIWAUUIRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-19-14-7-5-12(6-8-14)11-18-10-9-13-3-2-4-15(17)16(13)18/h2-10H,11,17H2,1H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]indol-7-amine?
1-[(4-methoxyphenyl)methyl]indol-7-amine has a molecular weight of 252.32 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]indol-7-amine is sourced from PubChem (CID 114935856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).