1-[3-(aminomethyl)phenyl]-1-(3,4-dimethylphenyl)-N-methylmethanamine

C17H22N2 — CID 116952153

IUPAC1-[3-(aminomethyl)phenyl]-1-(3,4-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cccc(CN)c1)c1ccc(C)c(C)c1
InChIInChI=1S/C17H22N2/c1-12-7-8-16(9-13(12)2)17(19-3)15-6-4-5-14(10-15)11-18/h4-10,17,19H,11,18H2,1-3H3
InChIKeySORVSHZFJWEXAI-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.07
Rot. Bonds4

About 1-[3-(aminomethyl)phenyl]-1-(3,4-dimethylphenyl)-N-methylmethanamine

1-[3-(aminomethyl)phenyl]-1-(3,4-dimethylphenyl)-N-methylmethanamine (PubChem CID 116952153) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-1-(3,4-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-1-(3,4-dimethylphenyl)-N-methylmethanamine
PubChem CID116952153
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name1-[3-(aminomethyl)phenyl]-1-(3,4-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cccc(CN)c1)c1ccc(C)c(C)c1
InChIInChI=1S/C17H22N2/c1-12-7-8-16(9-13(12)2)17(19-3)15-6-4-5-14(10-15)11-18/h4-10,17,19H,11,18H2,1-3H3
InChIKeySORVSHZFJWEXAI-UHFFFAOYSA-N
XLogP3.07
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018579
1-[3-(aminomethyl)phenyl]-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 116952174
1-[3-(aminomethyl)phenyl]-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
CID 116952167
1-(3,4-dimethylphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 43480217
1-[4-(aminomethyl)phenyl]-1-(3-bromophenyl)-N-methylmethanamine
CID 116952245
[(3,4-dimethylphenyl)-(3-propylphenyl)methyl]hydrazine
CID 105340471
1-[3-(aminomethyl)phenyl]-1-(1,3-benzoxazol-6-yl)-N-methylmethanamine
CID 116952176
1-[4-(aminomethyl)phenyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 116952210
1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-propylphenyl)methanamine
CID 105050563
1-(4-bromo-3-methylphenyl)-N-methyl-1-(3-propylphenyl)methanamine
CID 105050441
1-[3-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 116952168
1-(3-fluoro-4-methylphenyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 116544023

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-1-(3,4-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-1-(3,4-dimethylphenyl)-N-methylmethanamine (CID 116952153) is 1-[3-(aminomethyl)phenyl]-1-(3,4-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-1-(3,4-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-1-(3,4-dimethylphenyl)-N-methylmethanamine is CNC(c1cccc(CN)c1)c1ccc(C)c(C)c1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-1-(3,4-dimethylphenyl)-N-methylmethanamine?
The InChIKey is SORVSHZFJWEXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-12-7-8-16(9-13(12)2)17(19-3)15-6-4-5-14(10-15)11-18/h4-10,17,19H,11,18H2,1-3H3.
What are the key properties of 1-[3-(aminomethyl)phenyl]-1-(3,4-dimethylphenyl)-N-methylmethanamine?
1-[3-(aminomethyl)phenyl]-1-(3,4-dimethylphenyl)-N-methylmethanamine has a molecular weight of 254.38 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenyl]-1-(3,4-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 116952153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).