1-[3-(aminomethyl)phenyl]-N-methyl-1-(2,4,6-trimethylphenyl)methanamine

C18H24N2 — CID 116952167

IUPAC1-[3-(aminomethyl)phenyl]-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
SMILESCNC(c1cccc(CN)c1)c1c(C)cc(C)cc1C
InChIInChI=1S/C18H24N2/c1-12-8-13(2)17(14(3)9-12)18(20-4)16-7-5-6-15(10-16)11-19/h5-10,18,20H,11,19H2,1-4H3
InChIKeyURFKKDOPWGEBMM-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.38
Rot. Bonds4

About 1-[3-(aminomethyl)phenyl]-N-methyl-1-(2,4,6-trimethylphenyl)methanamine

1-[3-(aminomethyl)phenyl]-N-methyl-1-(2,4,6-trimethylphenyl)methanamine (PubChem CID 116952167) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-N-methyl-1-(2,4,6-trimethylphenyl)methanamine.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
PubChem CID116952167
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name1-[3-(aminomethyl)phenyl]-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
SMILESCNC(c1cccc(CN)c1)c1c(C)cc(C)cc1C
InChIInChI=1S/C18H24N2/c1-12-8-13(2)17(14(3)9-12)18(20-4)16-7-5-6-15(10-16)11-19/h5-10,18,20H,11,19H2,1-4H3
InChIKeyURFKKDOPWGEBMM-UHFFFAOYSA-N
XLogP3.38
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(aminomethyl)phenyl]-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 116952153
1-[3-(aminomethyl)phenyl]-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 116952174
1-[3-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 116952168
1-(2,4-dimethylphenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018513
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
CID 43484259
(3-propan-2-ylphenyl)methanamine
CID 21085835
1-(2-methoxy-4,6-dimethylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 106680353
1-[4-(aminomethyl)phenyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 116952210
1-[3-(aminomethyl)phenyl]-1-(1,3-benzoxazol-6-yl)-N-methylmethanamine
CID 116952176
1-(3,4-dimethylphenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018579
[(3-fluorophenyl)-(2,4,6-trimethylphenyl)methyl]hydrazine
CID 105285550
1-(2,6-dichlorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018696

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-N-methyl-1-(2,4,6-trimethylphenyl)methanamine?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-N-methyl-1-(2,4,6-trimethylphenyl)methanamine (CID 116952167) is 1-[3-(aminomethyl)phenyl]-N-methyl-1-(2,4,6-trimethylphenyl)methanamine.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-N-methyl-1-(2,4,6-trimethylphenyl)methanamine?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-N-methyl-1-(2,4,6-trimethylphenyl)methanamine is CNC(c1cccc(CN)c1)c1c(C)cc(C)cc1C.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-N-methyl-1-(2,4,6-trimethylphenyl)methanamine?
The InChIKey is URFKKDOPWGEBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-12-8-13(2)17(14(3)9-12)18(20-4)16-7-5-6-15(10-16)11-19/h5-10,18,20H,11,19H2,1-4H3.
What are the key properties of 1-[3-(aminomethyl)phenyl]-N-methyl-1-(2,4,6-trimethylphenyl)methanamine?
1-[3-(aminomethyl)phenyl]-N-methyl-1-(2,4,6-trimethylphenyl)methanamine has a molecular weight of 268.40 g/mol, XLogP of 3.38, 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]-N-methyl-1-(2,4,6-trimethylphenyl)methanamine is sourced from PubChem (CID 116952167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).