[4-(3-methyl-1H-indol-5-yl)phenyl]methanamine

C16H16N2 — CID 116996502

IUPAC[4-(3-methyl-1H-indol-5-yl)phenyl]methanamine
SMILESCc1c[nH]c2ccc(-c3ccc(CN)cc3)cc12
InChIInChI=1S/C16H16N2/c1-11-10-18-16-7-6-14(8-15(11)16)13-4-2-12(9-17)3-5-13/h2-8,10,18H,9,17H2,1H3
InChIKeyZEANETMJLVNAGH-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.60
Rot. Bonds2

About [4-(3-methyl-1H-indol-5-yl)phenyl]methanamine

[4-(3-methyl-1H-indol-5-yl)phenyl]methanamine (PubChem CID 116996502) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is [4-(3-methyl-1H-indol-5-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(3-methyl-1H-indol-5-yl)phenyl]methanamine
PubChem CID116996502
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name[4-(3-methyl-1H-indol-5-yl)phenyl]methanamine
SMILESCc1c[nH]c2ccc(-c3ccc(CN)cc3)cc12
InChIInChI=1S/C16H16N2/c1-11-10-18-16-7-6-14(8-15(11)16)13-4-2-12(9-17)3-5-13/h2-8,10,18H,9,17H2,1H3
InChIKeyZEANETMJLVNAGH-UHFFFAOYSA-N
XLogP3.60
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[5-(3-methyl-1H-indol-5-yl)pyridazin-4-yl]methanamine
CID 82388683
4-(3-methyl-1H-indol-5-yl)butan-1-amine
CID 117291124
2,2-dimethyl-3-(3-methyl-1H-indol-5-yl)propan-1-amine
CID 116996491
3,5-dimethyl-1H-indole
CID 142943492
2-[5-(3-methyl-1H-indol-5-yl)-1H-imidazol-2-yl]ethanamine
CID 82387880
[4-(3-amino-1H-indol-5-yl)phenyl]methanol
CID 70796369
1-[(3-methyl-1H-indol-5-yl)methyl]cyclopropan-1-ol
CID 117290213
5-ethoxy-3-methyl-1H-indole
CID 82490542
3-(3-methyl-1H-indol-5-yl)-1,2-oxazole-5-carboxylic acid
CID 82373607
4-[4-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-2-amine
CID 141329789
3-(3-methyl-1H-indol-5-yl)-1H-pyrazole-5-carboxylic acid
CID 82387523
[3-(4-methylphenyl)phenyl]methanamine
CID 1392243

Frequently Asked Questions

What is the IUPAC name of [4-(3-methyl-1H-indol-5-yl)phenyl]methanamine?
The IUPAC name of [4-(3-methyl-1H-indol-5-yl)phenyl]methanamine (CID 116996502) is [4-(3-methyl-1H-indol-5-yl)phenyl]methanamine.
What is the SMILES notation for [4-(3-methyl-1H-indol-5-yl)phenyl]methanamine?
The canonical SMILES for [4-(3-methyl-1H-indol-5-yl)phenyl]methanamine is Cc1c[nH]c2ccc(-c3ccc(CN)cc3)cc12.
What is the InChIKey of [4-(3-methyl-1H-indol-5-yl)phenyl]methanamine?
The InChIKey is ZEANETMJLVNAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-11-10-18-16-7-6-14(8-15(11)16)13-4-2-12(9-17)3-5-13/h2-8,10,18H,9,17H2,1H3.
What are the key properties of [4-(3-methyl-1H-indol-5-yl)phenyl]methanamine?
[4-(3-methyl-1H-indol-5-yl)phenyl]methanamine has a molecular weight of 236.32 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methyl-1H-indol-5-yl)phenyl]methanamine is sourced from PubChem (CID 116996502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).