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

C19H26N2 — CID 43281348

IUPACN-methyl-N-[(4-methylphenyl)methyl]-2-(propylaminomethyl)aniline
SMILESCCCNCc1ccccc1N(C)Cc1ccc(C)cc1
InChIInChI=1S/C19H26N2/c1-4-13-20-14-18-7-5-6-8-19(18)21(3)15-17-11-9-16(2)10-12-17/h5-12,20H,4,13-15H2,1-3H3
InChIKeyATIRTIMWYHKGEY-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.13
Rot. Bonds7

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

N-methyl-N-[(4-methylphenyl)methyl]-2-(propylaminomethyl)aniline (PubChem CID 43281348) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-methyl-N-[(4-methylphenyl)methyl]-2-(propylaminomethyl)aniline.

Molecular Properties

Compound NameN-methyl-N-[(4-methylphenyl)methyl]-2-(propylaminomethyl)aniline
PubChem CID43281348
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN-methyl-N-[(4-methylphenyl)methyl]-2-(propylaminomethyl)aniline
SMILESCCCNCc1ccccc1N(C)Cc1ccc(C)cc1
InChIInChI=1S/C19H26N2/c1-4-13-20-14-18-7-5-6-8-19(18)21(3)15-17-11-9-16(2)10-12-17/h5-12,20H,4,13-15H2,1-3H3
InChIKeyATIRTIMWYHKGEY-UHFFFAOYSA-N
XLogP4.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-N-[(4-methylphenyl)methyl]-2-(propylaminomethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-chlorophenyl)methyl]-N-methyl-2-(propylaminomethyl)aniline
CID 63552832
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(propylaminomethyl)aniline
CID 43526465
N-ethyl-N-(4-methylphenyl)-2-(propylaminomethyl)aniline
CID 63551592
N-(4-ethylphenyl)-N-methyl-2-(propylaminomethyl)aniline
CID 63551774
N-(3-methoxypropyl)-N-methyl-2-(propylaminomethyl)aniline
CID 55141079
N-methyl-N-[(3-methylphenyl)methyl]-3-(propylaminomethyl)pyridin-4-amine
CID 81253106
N-[(4-chlorophenyl)methyl]-N-methyl-4-(propylaminomethyl)pyridin-3-amine
CID 105073646
5-chloro-2-(ethylaminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]aniline
CID 114847739
N-[[4-(ethylaminomethyl)phenyl]methyl]-N,2-dimethylaniline
CID 62435259
N-benzyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 43280656
N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline
CID 43281753
N-(3,3-dimethylbutan-2-yl)-N-methyl-2-(propylaminomethyl)aniline
CID 55008722

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methylphenyl)methyl]-2-(propylaminomethyl)aniline?
The IUPAC name of N-methyl-N-[(4-methylphenyl)methyl]-2-(propylaminomethyl)aniline (CID 43281348) is N-methyl-N-[(4-methylphenyl)methyl]-2-(propylaminomethyl)aniline.
What is the SMILES notation for N-methyl-N-[(4-methylphenyl)methyl]-2-(propylaminomethyl)aniline?
The canonical SMILES for N-methyl-N-[(4-methylphenyl)methyl]-2-(propylaminomethyl)aniline is CCCNCc1ccccc1N(C)Cc1ccc(C)cc1.
What is the InChIKey of N-methyl-N-[(4-methylphenyl)methyl]-2-(propylaminomethyl)aniline?
The InChIKey is ATIRTIMWYHKGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-4-13-20-14-18-7-5-6-8-19(18)21(3)15-17-11-9-16(2)10-12-17/h5-12,20H,4,13-15H2,1-3H3.
What are the key properties of N-methyl-N-[(4-methylphenyl)methyl]-2-(propylaminomethyl)aniline?
N-methyl-N-[(4-methylphenyl)methyl]-2-(propylaminomethyl)aniline has a molecular weight of 282.43 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methylphenyl)methyl]-2-(propylaminomethyl)aniline is sourced from PubChem (CID 43281348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).