N-(4-ethylphenyl)-N-methyl-2-(propylaminomethyl)aniline

C19H26N2 — CID 63551774

IUPACN-(4-ethylphenyl)-N-methyl-2-(propylaminomethyl)aniline
SMILESCCCNCc1ccccc1N(C)c1ccc(CC)cc1
InChIInChI=1S/C19H26N2/c1-4-14-20-15-17-8-6-7-9-19(17)21(3)18-12-10-16(5-2)11-13-18/h6-13,20H,4-5,14-15H2,1-3H3
InChIKeyOUSVXVJXEJXXLE-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.52
Rot. Bonds7

About N-(4-ethylphenyl)-N-methyl-2-(propylaminomethyl)aniline

N-(4-ethylphenyl)-N-methyl-2-(propylaminomethyl)aniline (PubChem CID 63551774) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-(4-ethylphenyl)-N-methyl-2-(propylaminomethyl)aniline.

Molecular Properties

Compound NameN-(4-ethylphenyl)-N-methyl-2-(propylaminomethyl)aniline
PubChem CID63551774
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN-(4-ethylphenyl)-N-methyl-2-(propylaminomethyl)aniline
SMILESCCCNCc1ccccc1N(C)c1ccc(CC)cc1
InChIInChI=1S/C19H26N2/c1-4-14-20-15-17-8-6-7-9-19(17)21(3)18-12-10-16(5-2)11-13-18/h6-13,20H,4-5,14-15H2,1-3H3
InChIKeyOUSVXVJXEJXXLE-UHFFFAOYSA-N
XLogP4.52
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 ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)-N-(4-ethylphenyl)-N-methylaniline
CID 107082514
N-ethyl-N-(4-methylphenyl)-2-(propylaminomethyl)aniline
CID 63551592
N-methyl-N-[(4-methylphenyl)methyl]-2-(propylaminomethyl)aniline
CID 43281348
N-ethyl-N-(4-fluorophenyl)-2-(propylaminomethyl)aniline
CID 63550661
N-[(4-chlorophenyl)methyl]-N-methyl-2-(propylaminomethyl)aniline
CID 63552832
N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline
CID 43281753
N-[(4-ethylphenyl)methyl]propan-1-amine
CID 4716655
N-(3-methoxypropyl)-N-methyl-2-(propylaminomethyl)aniline
CID 55141079
N-(3,3-dimethylbutan-2-yl)-N-methyl-2-(propylaminomethyl)aniline
CID 55008722
N-ethyl-N-(3-fluorophenyl)-2-(propylaminomethyl)aniline
CID 63551209
N-methyl-N-(2-methylphenyl)-3-(propylaminomethyl)pyridin-2-amine
CID 62294632
N,2-dimethyl-N-(4-methylphenyl)-5-(propylaminomethyl)pyridin-4-amine
CID 81248842

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-N-methyl-2-(propylaminomethyl)aniline?
The IUPAC name of N-(4-ethylphenyl)-N-methyl-2-(propylaminomethyl)aniline (CID 63551774) is N-(4-ethylphenyl)-N-methyl-2-(propylaminomethyl)aniline.
What is the SMILES notation for N-(4-ethylphenyl)-N-methyl-2-(propylaminomethyl)aniline?
The canonical SMILES for N-(4-ethylphenyl)-N-methyl-2-(propylaminomethyl)aniline is CCCNCc1ccccc1N(C)c1ccc(CC)cc1.
What is the InChIKey of N-(4-ethylphenyl)-N-methyl-2-(propylaminomethyl)aniline?
The InChIKey is OUSVXVJXEJXXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-4-14-20-15-17-8-6-7-9-19(17)21(3)18-12-10-16(5-2)11-13-18/h6-13,20H,4-5,14-15H2,1-3H3.
What are the key properties of N-(4-ethylphenyl)-N-methyl-2-(propylaminomethyl)aniline?
N-(4-ethylphenyl)-N-methyl-2-(propylaminomethyl)aniline has a molecular weight of 282.43 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-N-methyl-2-(propylaminomethyl)aniline is sourced from PubChem (CID 63551774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).