4-[7-methyl-2-(3-phenoxyphenyl)-1H-indol-3-yl]butan-1-amine

C25H26N2O — CID 3895862

IUPAC4-[7-methyl-2-(3-phenoxyphenyl)-1H-indol-3-yl]butan-1-amine
SMILESCc1cccc2c(CCCCN)c(-c3cccc(Oc4ccccc4)c3)[nH]c12
InChIInChI=1S/C25H26N2O/c1-18-9-7-15-22-23(14-5-6-16-26)25(27-24(18)22)19-10-8-13-21(17-19)28-20-11-3-2-4-12-20/h2-4,7-13,15,17,27H,5-6,14,16,26H2,1H3
InChIKeyNJZOBBSLHOIIGQ-UHFFFAOYSA-N
MW370.50 g/mol
LogP6.22
Rot. Bonds7

About 4-[7-methyl-2-(3-phenoxyphenyl)-1H-indol-3-yl]butan-1-amine

4-[7-methyl-2-(3-phenoxyphenyl)-1H-indol-3-yl]butan-1-amine (PubChem CID 3895862) has the molecular formula C25H26N2O and a molecular weight of 370.50 g/mol. Its IUPAC name is 4-[7-methyl-2-(3-phenoxyphenyl)-1H-indol-3-yl]butan-1-amine.

Molecular Properties

Compound Name4-[7-methyl-2-(3-phenoxyphenyl)-1H-indol-3-yl]butan-1-amine
PubChem CID3895862
Molecular FormulaC25H26N2O
Molecular Weight370.50 g/mol
Exact Mass370.20
IUPAC Name4-[7-methyl-2-(3-phenoxyphenyl)-1H-indol-3-yl]butan-1-amine
SMILESCc1cccc2c(CCCCN)c(-c3cccc(Oc4ccccc4)c3)[nH]c12
InChIInChI=1S/C25H26N2O/c1-18-9-7-15-22-23(14-5-6-16-26)25(27-24(18)22)19-10-8-13-21(17-19)28-20-11-3-2-4-12-20/h2-4,7-13,15,17,27H,5-6,14,16,26H2,1H3
InChIKeyNJZOBBSLHOIIGQ-UHFFFAOYSA-N
XLogP6.22
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.50
LogP ≤ 56.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[5-ethoxy-2-(3-phenoxyphenyl)-1H-indol-3-yl]butan-1-amine
CID 4309736
4-(7-methyl-2-pyridin-3-yl-1H-indol-3-yl)butan-1-amine
CID 5160195
4-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]butan-1-amine
CID 4546289
4-[2-(3-phenoxyphenyl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]butan-1-amine
CID 4310336
4-(7-fluoro-2-naphthalen-2-yl-1H-indol-3-yl)butan-1-amine
CID 3891466
4-[2-(1-benzothiophen-2-yl)-7-methyl-1H-indol-3-yl]butan-1-amine
CID 3879590
4-[7-bromo-5-chloro-2-(3-methoxyphenyl)-1H-indol-3-yl]butan-1-amine
CID 3608432
2-[7-fluoro-2-(3-phenoxyphenyl)-1H-indol-3-yl]acetic acid
CID 5030612
4-[2-(2,3-dimethoxyphenyl)-7-methyl-1H-indol-3-yl]butan-1-amine
CID 4214505
4-[7-fluoro-2-(2-phenylphenyl)-1H-indol-3-yl]butan-1-amine
CID 3911726
4-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-1H-indol-3-yl]butan-1-amine
CID 4566691
4-[2-(2-phenoxyphenyl)-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine
CID 4209699

Frequently Asked Questions

What is the IUPAC name of 4-[7-methyl-2-(3-phenoxyphenyl)-1H-indol-3-yl]butan-1-amine?
The IUPAC name of 4-[7-methyl-2-(3-phenoxyphenyl)-1H-indol-3-yl]butan-1-amine (CID 3895862) is 4-[7-methyl-2-(3-phenoxyphenyl)-1H-indol-3-yl]butan-1-amine.
What is the SMILES notation for 4-[7-methyl-2-(3-phenoxyphenyl)-1H-indol-3-yl]butan-1-amine?
The canonical SMILES for 4-[7-methyl-2-(3-phenoxyphenyl)-1H-indol-3-yl]butan-1-amine is Cc1cccc2c(CCCCN)c(-c3cccc(Oc4ccccc4)c3)[nH]c12.
What is the InChIKey of 4-[7-methyl-2-(3-phenoxyphenyl)-1H-indol-3-yl]butan-1-amine?
The InChIKey is NJZOBBSLHOIIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O/c1-18-9-7-15-22-23(14-5-6-16-26)25(27-24(18)22)19-10-8-13-21(17-19)28-20-11-3-2-4-12-20/h2-4,7-13,15,17,27H,5-6,14,16,26H2,1H3.
What are the key properties of 4-[7-methyl-2-(3-phenoxyphenyl)-1H-indol-3-yl]butan-1-amine?
4-[7-methyl-2-(3-phenoxyphenyl)-1H-indol-3-yl]butan-1-amine has a molecular weight of 370.50 g/mol, XLogP of 6.22, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-methyl-2-(3-phenoxyphenyl)-1H-indol-3-yl]butan-1-amine is sourced from PubChem (CID 3895862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).