[2-methoxy-4-[(3-methylindol-1-yl)methyl]phenyl]methanamine

C18H20N2O — CID 106785915

IUPAC[2-methoxy-4-[(3-methylindol-1-yl)methyl]phenyl]methanamine
SMILESCOc1cc(Cn2cc(C)c3ccccc32)ccc1CN
InChIInChI=1S/C18H20N2O/c1-13-11-20(17-6-4-3-5-16(13)17)12-14-7-8-15(10-19)18(9-14)21-2/h3-9,11H,10,12,19H2,1-2H3
InChIKeyLFSQFNKSRQXLIP-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.47
Rot. Bonds4

About [2-methoxy-4-[(3-methylindol-1-yl)methyl]phenyl]methanamine

[2-methoxy-4-[(3-methylindol-1-yl)methyl]phenyl]methanamine (PubChem CID 106785915) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is [2-methoxy-4-[(3-methylindol-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-methoxy-4-[(3-methylindol-1-yl)methyl]phenyl]methanamine
PubChem CID106785915
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name[2-methoxy-4-[(3-methylindol-1-yl)methyl]phenyl]methanamine
SMILESCOc1cc(Cn2cc(C)c3ccccc32)ccc1CN
InChIInChI=1S/C18H20N2O/c1-13-11-20(17-6-4-3-5-16(13)17)12-14-7-8-15(10-19)18(9-14)21-2/h3-9,11H,10,12,19H2,1-2H3
InChIKeyLFSQFNKSRQXLIP-UHFFFAOYSA-N
XLogP3.47
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(3-methylindol-1-yl)methyl]-2-pyridinyl]methanamine
CID 63889043
1-[[3,4-bis(phenylmethoxy)phenyl]methyl]-3-methylindole
CID 59014808
2-chloro-5-[(3-methylindol-1-yl)methyl]aniline
CID 43316655
3-benzyl-1-[(3,4-dimethoxyphenyl)methyl]indole
CID 53474780
[4-(1,3-dihydroisoindol-2-ylmethyl)-2-methoxyphenyl]methanamine
CID 106785461
1-benzyl-3-methylindole;ethane
CID 145343697
[1-[(3,4-dimethoxyphenyl)methyl]indol-3-yl]-trimethylazanium
CID 102432985
[2-methoxy-4-[(2-methylphenoxy)methyl]phenyl]methanamine
CID 106786180
methyl 4-[(3-methylindol-1-yl)methyl]benzoate
CID 43316679
[4-[(3-chloroindol-1-yl)methyl]-3-methylphenyl]methanamine
CID 114479103
[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine
CID 84754851
1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]pyrrolidine-3,4-diol
CID 106785777

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-[(3-methylindol-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [2-methoxy-4-[(3-methylindol-1-yl)methyl]phenyl]methanamine (CID 106785915) is [2-methoxy-4-[(3-methylindol-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [2-methoxy-4-[(3-methylindol-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [2-methoxy-4-[(3-methylindol-1-yl)methyl]phenyl]methanamine is COc1cc(Cn2cc(C)c3ccccc32)ccc1CN.
What is the InChIKey of [2-methoxy-4-[(3-methylindol-1-yl)methyl]phenyl]methanamine?
The InChIKey is LFSQFNKSRQXLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13-11-20(17-6-4-3-5-16(13)17)12-14-7-8-15(10-19)18(9-14)21-2/h3-9,11H,10,12,19H2,1-2H3.
What are the key properties of [2-methoxy-4-[(3-methylindol-1-yl)methyl]phenyl]methanamine?
[2-methoxy-4-[(3-methylindol-1-yl)methyl]phenyl]methanamine has a molecular weight of 280.37 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-[(3-methylindol-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 106785915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).