1-[3-(4-methoxyphenyl)propyl]indol-4-amine

C18H20N2O — CID 90090798

IUPAC1-[3-(4-methoxyphenyl)propyl]indol-4-amine
SMILESCOc1ccc(CCCn2ccc3c(N)cccc32)cc1
InChIInChI=1S/C18H20N2O/c1-21-15-9-7-14(8-10-15)4-3-12-20-13-11-16-17(19)5-2-6-18(16)20/h2,5-11,13H,3-4,12,19H2,1H3
InChIKeyZLVRBVNTZGBKHB-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.86
Rot. Bonds5

About 1-[3-(4-methoxyphenyl)propyl]indol-4-amine

1-[3-(4-methoxyphenyl)propyl]indol-4-amine (PubChem CID 90090798) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[3-(4-methoxyphenyl)propyl]indol-4-amine.

Molecular Properties

Compound Name1-[3-(4-methoxyphenyl)propyl]indol-4-amine
PubChem CID90090798
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-[3-(4-methoxyphenyl)propyl]indol-4-amine
SMILESCOc1ccc(CCCn2ccc3c(N)cccc32)cc1
InChIInChI=1S/C18H20N2O/c1-21-15-9-7-14(8-10-15)4-3-12-20-13-11-16-17(19)5-2-6-18(16)20/h2,5-11,13H,3-4,12,19H2,1H3
InChIKeyZLVRBVNTZGBKHB-UHFFFAOYSA-N
XLogP3.86
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.86
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-methylpentyl)indol-4-amine
CID 83157136
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-4-amine
CID 104562950
5-amino-1-[(4-methoxyphenyl)methyl]quinolin-2-one
CID 118001654
4-bromo-1-(3-phenylpropyl)indole
CID 116625927
1-[7-(4-aminoindol-1-yl)heptyl]-5-methylpyrimidine-2,4-dione
CID 101155356
1-[6-(4-aminoindol-1-yl)hexyl]-5-methylpyrimidine-2,4-dione
CID 101155354
1-[(4-methoxyphenyl)methyl]indol-7-amine
CID 114935856
1-(3-phenylpropyl)indole-4-carbonitrile
CID 107918950
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
4-methoxy-1-(3-phenoxypropyl)indole
CID 83165816
1-[2-(trifluoromethylsulfanyl)ethyl]indol-4-amine
CID 116615863
4-bromo-1-(4-phenylbutyl)indole
CID 114334837

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxyphenyl)propyl]indol-4-amine?
The IUPAC name of 1-[3-(4-methoxyphenyl)propyl]indol-4-amine (CID 90090798) is 1-[3-(4-methoxyphenyl)propyl]indol-4-amine.
What is the SMILES notation for 1-[3-(4-methoxyphenyl)propyl]indol-4-amine?
The canonical SMILES for 1-[3-(4-methoxyphenyl)propyl]indol-4-amine is COc1ccc(CCCn2ccc3c(N)cccc32)cc1.
What is the InChIKey of 1-[3-(4-methoxyphenyl)propyl]indol-4-amine?
The InChIKey is ZLVRBVNTZGBKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-21-15-9-7-14(8-10-15)4-3-12-20-13-11-16-17(19)5-2-6-18(16)20/h2,5-11,13H,3-4,12,19H2,1H3.
What are the key properties of 1-[3-(4-methoxyphenyl)propyl]indol-4-amine?
1-[3-(4-methoxyphenyl)propyl]indol-4-amine has a molecular weight of 280.37 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxyphenyl)propyl]indol-4-amine is sourced from PubChem (CID 90090798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).