N-methyl-4-[methylamino-(2,4,5-trimethylphenyl)methyl]aniline

C18H24N2 — CID 116952114

IUPACN-methyl-4-[methylamino-(2,4,5-trimethylphenyl)methyl]aniline
SMILESCNc1ccc(C(NC)c2cc(C)c(C)cc2C)cc1
InChIInChI=1S/C18H24N2/c1-12-10-14(3)17(11-13(12)2)18(20-5)15-6-8-16(19-4)9-7-15/h6-11,18-20H,1-5H3
InChIKeyNNNYMSBSWNKBSV-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.96
Rot. Bonds4

About N-methyl-4-[methylamino-(2,4,5-trimethylphenyl)methyl]aniline

N-methyl-4-[methylamino-(2,4,5-trimethylphenyl)methyl]aniline (PubChem CID 116952114) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-methyl-4-[methylamino-(2,4,5-trimethylphenyl)methyl]aniline.

Molecular Properties

Compound NameN-methyl-4-[methylamino-(2,4,5-trimethylphenyl)methyl]aniline
PubChem CID116952114
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN-methyl-4-[methylamino-(2,4,5-trimethylphenyl)methyl]aniline
SMILESCNc1ccc(C(NC)c2cc(C)c(C)cc2C)cc1
InChIInChI=1S/C18H24N2/c1-12-10-14(3)17(11-13(12)2)18(20-5)15-6-8-16(19-4)9-7-15/h6-11,18-20H,1-5H3
InChIKeyNNNYMSBSWNKBSV-UHFFFAOYSA-N
XLogP3.96
TPSA24.06 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 ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxyphenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 104990532
1-(3,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 64990005
N-methyl-1-(3,4,5-trifluorophenyl)-1-(2,4,5-trimethylphenyl)methanamine
CID 64990056
N-methyl-1-(5-methyl-3-pyridinyl)-1-(2,4,5-trimethylphenyl)methanamine
CID 105155131
4-[(2-methoxyphenyl)-(methylamino)methyl]-N-methylaniline
CID 116952129
1-(3-fluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 64989689
1-(2,4-dimethylphenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 104990383
1-[3-(aminomethyl)phenyl]-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 116952174
N-methyl-1-(2,4,5-trimethylphenyl)-1-(2,4,6-trimethylphenyl)methanamine
CID 104990389
1-(5-fluoro-2-methylphenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 64989956
1-(3-bromo-4-methylphenyl)-1-(2-chloro-4,5-dimethylphenyl)-N-methylmethanamine
CID 115483873
1-(3-bromo-5-chlorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 107946026

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[methylamino-(2,4,5-trimethylphenyl)methyl]aniline?
The IUPAC name of N-methyl-4-[methylamino-(2,4,5-trimethylphenyl)methyl]aniline (CID 116952114) is N-methyl-4-[methylamino-(2,4,5-trimethylphenyl)methyl]aniline.
What is the SMILES notation for N-methyl-4-[methylamino-(2,4,5-trimethylphenyl)methyl]aniline?
The canonical SMILES for N-methyl-4-[methylamino-(2,4,5-trimethylphenyl)methyl]aniline is CNc1ccc(C(NC)c2cc(C)c(C)cc2C)cc1.
What is the InChIKey of N-methyl-4-[methylamino-(2,4,5-trimethylphenyl)methyl]aniline?
The InChIKey is NNNYMSBSWNKBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-12-10-14(3)17(11-13(12)2)18(20-5)15-6-8-16(19-4)9-7-15/h6-11,18-20H,1-5H3.
What are the key properties of N-methyl-4-[methylamino-(2,4,5-trimethylphenyl)methyl]aniline?
N-methyl-4-[methylamino-(2,4,5-trimethylphenyl)methyl]aniline has a molecular weight of 268.40 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[methylamino-(2,4,5-trimethylphenyl)methyl]aniline is sourced from PubChem (CID 116952114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).