[3-[3-(methylaminomethyl)phenyl]phenyl]methanamine

C15H18N2 — CID 58788121

IUPAC[3-[3-(methylaminomethyl)phenyl]phenyl]methanamine
SMILESCNCc1cccc(-c2cccc(CN)c2)c1
InChIInChI=1S/C15H18N2/c1-17-11-13-5-3-7-15(9-13)14-6-2-4-12(8-14)10-16/h2-9,17H,10-11,16H2,1H3
InChIKeyNGCURVSVVAVCFQ-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.53
Rot. Bonds4

About [3-[3-(methylaminomethyl)phenyl]phenyl]methanamine

[3-[3-(methylaminomethyl)phenyl]phenyl]methanamine (PubChem CID 58788121) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is [3-[3-(methylaminomethyl)phenyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[3-(methylaminomethyl)phenyl]phenyl]methanamine
PubChem CID58788121
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name[3-[3-(methylaminomethyl)phenyl]phenyl]methanamine
SMILESCNCc1cccc(-c2cccc(CN)c2)c1
InChIInChI=1S/C15H18N2/c1-17-11-13-5-3-7-15(9-13)14-6-2-4-12(8-14)10-16/h2-9,17H,10-11,16H2,1H3
InChIKeyNGCURVSVVAVCFQ-UHFFFAOYSA-N
XLogP2.53
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(3,4-dimethylphenyl)phenyl]-N-methylmethanamine
CID 61034041
N-methyl-1-[3-(3,4,5-trifluorophenyl)phenyl]methanamine
CID 61239496
[3-(4-methylphenyl)phenyl]methanamine
CID 1392243
[3-(3-propylphenyl)phenyl]methanamine
CID 1392934
1-[3-(4-methoxy-3-methylphenyl)phenyl]-N-methylmethanamine
CID 61034321
N-methyl-1-thiophen-3-ylmethanamine;phenylmethanamine
CID 142969768
tert-butyl N-[[3-[3-(aminomethyl)phenyl]phenyl]methyl]carbamate
CID 110282100
1-[5-(3-ethylphenyl)-3-pyridinyl]-N-methylmethanamine
CID 113469756
[3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]methanamine
CID 129154957
(3-pyridin-4-ylphenyl)methanamine;dihydrochloride
CID 23086760
[3-(5-methylthiophen-3-yl)phenyl]methanamine
CID 65100908
[3-(aminomethyl)phenyl]methanamine;azane
CID 175725248

Frequently Asked Questions

What is the IUPAC name of [3-[3-(methylaminomethyl)phenyl]phenyl]methanamine?
The IUPAC name of [3-[3-(methylaminomethyl)phenyl]phenyl]methanamine (CID 58788121) is [3-[3-(methylaminomethyl)phenyl]phenyl]methanamine.
What is the SMILES notation for [3-[3-(methylaminomethyl)phenyl]phenyl]methanamine?
The canonical SMILES for [3-[3-(methylaminomethyl)phenyl]phenyl]methanamine is CNCc1cccc(-c2cccc(CN)c2)c1.
What is the InChIKey of [3-[3-(methylaminomethyl)phenyl]phenyl]methanamine?
The InChIKey is NGCURVSVVAVCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-17-11-13-5-3-7-15(9-13)14-6-2-4-12(8-14)10-16/h2-9,17H,10-11,16H2,1H3.
What are the key properties of [3-[3-(methylaminomethyl)phenyl]phenyl]methanamine?
[3-[3-(methylaminomethyl)phenyl]phenyl]methanamine has a molecular weight of 226.32 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(methylaminomethyl)phenyl]phenyl]methanamine is sourced from PubChem (CID 58788121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).