2-methyl-3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]aniline

C17H22N2 — CID 43509157

IUPAC2-methyl-3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]aniline
SMILESCc1ccc(CN(C)Cc2cccc(N)c2C)cc1
InChIInChI=1S/C17H22N2/c1-13-7-9-15(10-8-13)11-19(3)12-16-5-4-6-17(18)14(16)2/h4-10H,11-12,18H2,1-3H3
InChIKeyBQCKUBSRKDSAIM-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.52
Rot. Bonds4

About 2-methyl-3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]aniline

2-methyl-3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]aniline (PubChem CID 43509157) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-methyl-3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]aniline.

Molecular Properties

Compound Name2-methyl-3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]aniline
PubChem CID43509157
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name2-methyl-3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]aniline
SMILESCc1ccc(CN(C)Cc2cccc(N)c2C)cc1
InChIInChI=1S/C17H22N2/c1-13-7-9-15(10-8-13)11-19(3)12-16-5-4-6-17(18)14(16)2/h4-10H,11-12,18H2,1-3H3
InChIKeyBQCKUBSRKDSAIM-UHFFFAOYSA-N
XLogP3.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-[[methyl(pyridin-4-ylmethyl)amino]methyl]aniline
CID 43563884
3-bromo-2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]aniline
CID 43349678
N-[(2-bromophenyl)methyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 55027528
2-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
CID 43383822
2-methyl-3-[[methyl(pentyl)amino]methyl]aniline
CID 43509178
3-[[(4-chlorophenyl)methyl-methylamino]methyl]-2-fluoroaniline
CID 107347290
4-bromo-3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]aniline
CID 115297546
2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-1,3-benzoxazol-4-amine
CID 79999246
2-[[methyl(pyridin-4-ylmethyl)amino]methyl]aniline
CID 43458561
4-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]aniline
CID 61481760
2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]benzoic acid
CID 43473283
4-[[(2-aminophenyl)methyl-methylamino]methyl]benzamide
CID 43458582

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]aniline?
The IUPAC name of 2-methyl-3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]aniline (CID 43509157) is 2-methyl-3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]aniline.
What is the SMILES notation for 2-methyl-3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]aniline?
The canonical SMILES for 2-methyl-3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]aniline is Cc1ccc(CN(C)Cc2cccc(N)c2C)cc1.
What is the InChIKey of 2-methyl-3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]aniline?
The InChIKey is BQCKUBSRKDSAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-13-7-9-15(10-8-13)11-19(3)12-16-5-4-6-17(18)14(16)2/h4-10H,11-12,18H2,1-3H3.
What are the key properties of 2-methyl-3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]aniline?
2-methyl-3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]aniline has a molecular weight of 254.38 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]aniline is sourced from PubChem (CID 43509157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).