[3-[[(3,4-dimethylphenyl)methylamino]methyl]phenyl]methanamine

C17H22N2 — CID 115212989

IUPAC[3-[[(3,4-dimethylphenyl)methylamino]methyl]phenyl]methanamine
SMILESCc1ccc(CNCc2cccc(CN)c2)cc1C
InChIInChI=1S/C17H22N2/c1-13-6-7-17(8-14(13)2)12-19-11-16-5-3-4-15(9-16)10-18/h3-9,19H,10-12,18H2,1-2H3
InChIKeyURKXEACRNNHCGF-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.05
Rot. Bonds5

About [3-[[(3,4-dimethylphenyl)methylamino]methyl]phenyl]methanamine

[3-[[(3,4-dimethylphenyl)methylamino]methyl]phenyl]methanamine (PubChem CID 115212989) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is [3-[[(3,4-dimethylphenyl)methylamino]methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[[(3,4-dimethylphenyl)methylamino]methyl]phenyl]methanamine
PubChem CID115212989
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name[3-[[(3,4-dimethylphenyl)methylamino]methyl]phenyl]methanamine
SMILESCc1ccc(CNCc2cccc(CN)c2)cc1C
InChIInChI=1S/C17H22N2/c1-13-6-7-17(8-14(13)2)12-19-11-16-5-3-4-15(9-16)10-18/h3-9,19H,10-12,18H2,1-2H3
InChIKeyURKXEACRNNHCGF-UHFFFAOYSA-N
XLogP3.05
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[[(4-chlorophenyl)methylamino]methyl]phenyl]methanamine
CID 115212992
3-[[(3,4-dimethylphenyl)methylamino]methyl]benzonitrile
CID 54936274
N-[[3-(aminomethyl)phenyl]methyl]-2-(2,5-dimethylphenyl)ethanamine
CID 115213050
[3-[[(5-methylfuran-2-yl)methylamino]methyl]phenyl]methanamine
CID 115213024
[3-[(3,4-dimethylphenyl)methylsulfanyl]phenyl]methanamine
CID 66353892
N-[[3-(aminomethyl)phenyl]methyl]but-3-en-1-amine
CID 145380896
N-[[3-(aminomethyl)phenyl]methyl]-2,2-dimethylpentan-1-amine
CID 115213095
1-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]methanamine
CID 43221037
[3-[(3,4-dimethylphenoxy)methyl]phenyl]methanamine
CID 16784243
[3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanamine
CID 115212986
[3-(aminomethyl)phenyl]methanamine;azane
CID 175725248
N-[[3-(aminomethyl)phenyl]methyl]-2-pyridin-4-ylethanamine
CID 115213067

Frequently Asked Questions

What is the IUPAC name of [3-[[(3,4-dimethylphenyl)methylamino]methyl]phenyl]methanamine?
The IUPAC name of [3-[[(3,4-dimethylphenyl)methylamino]methyl]phenyl]methanamine (CID 115212989) is [3-[[(3,4-dimethylphenyl)methylamino]methyl]phenyl]methanamine.
What is the SMILES notation for [3-[[(3,4-dimethylphenyl)methylamino]methyl]phenyl]methanamine?
The canonical SMILES for [3-[[(3,4-dimethylphenyl)methylamino]methyl]phenyl]methanamine is Cc1ccc(CNCc2cccc(CN)c2)cc1C.
What is the InChIKey of [3-[[(3,4-dimethylphenyl)methylamino]methyl]phenyl]methanamine?
The InChIKey is URKXEACRNNHCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-13-6-7-17(8-14(13)2)12-19-11-16-5-3-4-15(9-16)10-18/h3-9,19H,10-12,18H2,1-2H3.
What are the key properties of [3-[[(3,4-dimethylphenyl)methylamino]methyl]phenyl]methanamine?
[3-[[(3,4-dimethylphenyl)methylamino]methyl]phenyl]methanamine has a molecular weight of 254.38 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(3,4-dimethylphenyl)methylamino]methyl]phenyl]methanamine is sourced from PubChem (CID 115212989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).