N-methyl-4-[[2-(2-methylphenyl)ethylamino]methyl]aniline

C17H22N2 — CID 115212839

IUPACN-methyl-4-[[2-(2-methylphenyl)ethylamino]methyl]aniline
SMILESCNc1ccc(CNCCc2ccccc2C)cc1
InChIInChI=1S/C17H22N2/c1-14-5-3-4-6-16(14)11-12-19-13-15-7-9-17(18-2)10-8-15/h3-10,18-19H,11-13H2,1-2H3
InChIKeyZIJJMJWYPZWYLB-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.37
Rot. Bonds6

About N-methyl-4-[[2-(2-methylphenyl)ethylamino]methyl]aniline

N-methyl-4-[[2-(2-methylphenyl)ethylamino]methyl]aniline (PubChem CID 115212839) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-methyl-4-[[2-(2-methylphenyl)ethylamino]methyl]aniline.

Molecular Properties

Compound NameN-methyl-4-[[2-(2-methylphenyl)ethylamino]methyl]aniline
PubChem CID115212839
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-methyl-4-[[2-(2-methylphenyl)ethylamino]methyl]aniline
SMILESCNc1ccc(CNCCc2ccccc2C)cc1
InChIInChI=1S/C17H22N2/c1-14-5-3-4-6-16(14)11-12-19-13-15-7-9-17(18-2)10-8-15/h3-10,18-19H,11-13H2,1-2H3
InChIKeyZIJJMJWYPZWYLB-UHFFFAOYSA-N
XLogP3.37
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(methoxymethyl)phenyl]methyl]-2-(2-methylphenyl)ethanamine
CID 79032661
N-[(3-chloro-4-methylphenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 106816930
N-benzyl-3-(2-methylphenyl)propan-1-amine
CID 62047692
N-[(3-chlorophenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 78910558
3-[[2-(2-methylphenyl)ethylamino]methyl]phenol
CID 78910580
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylphenyl)ethanamine
CID 112722432
N-[(2-bromophenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 78910561
N-methyl-4-[(2-pyridin-4-ylethylamino)methyl]aniline
CID 115212846
N-benzyl-1-phenylmethanamine;1-methyl-2-[(2-methylphenyl)methyl]benzene
CID 70442876
N-methyl-N'-[2-(2-methylphenyl)ethyl]butane-1,4-diamine
CID 115202150
3-[[2-(2-methylphenyl)ethylamino]methyl]benzene-1,2-diol
CID 79762957
1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 4724057

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[2-(2-methylphenyl)ethylamino]methyl]aniline?
The IUPAC name of N-methyl-4-[[2-(2-methylphenyl)ethylamino]methyl]aniline (CID 115212839) is N-methyl-4-[[2-(2-methylphenyl)ethylamino]methyl]aniline.
What is the SMILES notation for N-methyl-4-[[2-(2-methylphenyl)ethylamino]methyl]aniline?
The canonical SMILES for N-methyl-4-[[2-(2-methylphenyl)ethylamino]methyl]aniline is CNc1ccc(CNCCc2ccccc2C)cc1.
What is the InChIKey of N-methyl-4-[[2-(2-methylphenyl)ethylamino]methyl]aniline?
The InChIKey is ZIJJMJWYPZWYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-14-5-3-4-6-16(14)11-12-19-13-15-7-9-17(18-2)10-8-15/h3-10,18-19H,11-13H2,1-2H3.
What are the key properties of N-methyl-4-[[2-(2-methylphenyl)ethylamino]methyl]aniline?
N-methyl-4-[[2-(2-methylphenyl)ethylamino]methyl]aniline has a molecular weight of 254.38 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[2-(2-methylphenyl)ethylamino]methyl]aniline is sourced from PubChem (CID 115212839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).