[3-(aminomethyl)phenyl]-(1-methylindol-3-yl)methanamine

C17H19N3 — CID 116936971

IUPAC[3-(aminomethyl)phenyl]-(1-methylindol-3-yl)methanamine
SMILESCn1cc(C(N)c2cccc(CN)c2)c2ccccc21
InChIInChI=1S/C17H19N3/c1-20-11-15(14-7-2-3-8-16(14)20)17(19)13-6-4-5-12(9-13)10-18/h2-9,11,17H,10,18-19H2,1H3
InChIKeyWELINVQJOIBUMT-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.69
Rot. Bonds3

About [3-(aminomethyl)phenyl]-(1-methylindol-3-yl)methanamine

[3-(aminomethyl)phenyl]-(1-methylindol-3-yl)methanamine (PubChem CID 116936971) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is [3-(aminomethyl)phenyl]-(1-methylindol-3-yl)methanamine.

Molecular Properties

Compound Name[3-(aminomethyl)phenyl]-(1-methylindol-3-yl)methanamine
PubChem CID116936971
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name[3-(aminomethyl)phenyl]-(1-methylindol-3-yl)methanamine
SMILESCn1cc(C(N)c2cccc(CN)c2)c2ccccc21
InChIInChI=1S/C17H19N3/c1-20-11-15(14-7-2-3-8-16(14)20)17(19)13-6-4-5-12(9-13)10-18/h2-9,11,17H,10,18-19H2,1H3
InChIKeyWELINVQJOIBUMT-UHFFFAOYSA-N
XLogP2.69
TPSA56.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methylindol-3-yl)-naphthalen-2-ylmethanamine
CID 101394090
(1R)-2-amino-1-(1-methylindol-3-yl)ethanol
CID 39238214
2-amino-1-(1-methylindol-3-yl)ethanethiol
CID 116868623
2,2-dimethyl-1-(1-methylindol-3-yl)propane-1,3-diamine
CID 116933418
acetic acid;2-(1-methylindol-3-yl)-2-phenylethanamine
CID 75539416
1-methyl-3-propan-2-ylindole
CID 10942942
[3-(aminomethyl)phenyl]-(2,5-difluorophenyl)methanamine
CID 116936966
3-methoxy-2-(1-methylindol-3-yl)propan-1-amine
CID 116835610
[3-[3-[3-(aminomethyl)phenyl]phenyl]phenyl]-(2-methylphenyl)methanamine
CID 145212399
methoxy-(1-methylindol-3-yl)methanamine
CID 116947283
(3-propan-2-ylphenyl)methanamine
CID 21085835
(1S)-3-amino-1-(1-methylindol-3-yl)propan-1-ol
CID 95438673

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)phenyl]-(1-methylindol-3-yl)methanamine?
The IUPAC name of [3-(aminomethyl)phenyl]-(1-methylindol-3-yl)methanamine (CID 116936971) is [3-(aminomethyl)phenyl]-(1-methylindol-3-yl)methanamine.
What is the SMILES notation for [3-(aminomethyl)phenyl]-(1-methylindol-3-yl)methanamine?
The canonical SMILES for [3-(aminomethyl)phenyl]-(1-methylindol-3-yl)methanamine is Cn1cc(C(N)c2cccc(CN)c2)c2ccccc21.
What is the InChIKey of [3-(aminomethyl)phenyl]-(1-methylindol-3-yl)methanamine?
The InChIKey is WELINVQJOIBUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-20-11-15(14-7-2-3-8-16(14)20)17(19)13-6-4-5-12(9-13)10-18/h2-9,11,17H,10,18-19H2,1H3.
What are the key properties of [3-(aminomethyl)phenyl]-(1-methylindol-3-yl)methanamine?
[3-(aminomethyl)phenyl]-(1-methylindol-3-yl)methanamine has a molecular weight of 265.36 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)phenyl]-(1-methylindol-3-yl)methanamine is sourced from PubChem (CID 116936971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).