[4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]phenyl]methanamine

C18H24N2 — CID 115213236

IUPAC[4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]phenyl]methanamine
SMILESCc1ccc(CN(C)Cc2ccc(CN)cc2)c(C)c1
InChIInChI=1S/C18H24N2/c1-14-4-9-18(15(2)10-14)13-20(3)12-17-7-5-16(11-19)6-8-17/h4-10H,11-13,19H2,1-3H3
InChIKeyVJWHJKFFCZJLJT-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.39
Rot. Bonds5

About [4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]phenyl]methanamine

[4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]phenyl]methanamine (PubChem CID 115213236) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is [4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]phenyl]methanamine
PubChem CID115213236
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name[4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]phenyl]methanamine
SMILESCc1ccc(CN(C)Cc2ccc(CN)cc2)c(C)c1
InChIInChI=1S/C18H24N2/c1-14-4-9-18(15(2)10-14)13-20(3)12-17-7-5-16(11-19)6-8-17/h4-10H,11-13,19H2,1-3H3
InChIKeyVJWHJKFFCZJLJT-UHFFFAOYSA-N
XLogP3.39
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[[(4-ethylphenyl)methyl-methylamino]methyl]-3-methylphenyl]methanamine
CID 114478620
4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]-N-methylaniline
CID 115212798
4-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]aniline
CID 61481760
[3-fluoro-4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 61414070
3-methyl-4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]benzoic acid
CID 114485374
[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-3-methylphenyl]methanamine
CID 114478646
N-[[4-(aminomethyl)phenyl]methyl]-N,2,4,6-tetramethylaniline
CID 115213175
N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-phenylmethanamine
CID 10610052
[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]phenyl]methanamine
CID 61426662
[4-fluoro-2-[[(4-fluorophenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 64769510
[4-methoxy-3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 62018363
N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-2-(3-methylphenyl)ethanamine
CID 115213284

Frequently Asked Questions

What is the IUPAC name of [4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]phenyl]methanamine?
The IUPAC name of [4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]phenyl]methanamine (CID 115213236) is [4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]phenyl]methanamine.
What is the SMILES notation for [4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]phenyl]methanamine?
The canonical SMILES for [4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]phenyl]methanamine is Cc1ccc(CN(C)Cc2ccc(CN)cc2)c(C)c1.
What is the InChIKey of [4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]phenyl]methanamine?
The InChIKey is VJWHJKFFCZJLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-14-4-9-18(15(2)10-14)13-20(3)12-17-7-5-16(11-19)6-8-17/h4-10H,11-13,19H2,1-3H3.
What are the key properties of [4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]phenyl]methanamine?
[4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]phenyl]methanamine has a molecular weight of 268.40 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]phenyl]methanamine is sourced from PubChem (CID 115213236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).