N-ethyl-3-methyl-N-phenyl-4-(propylaminomethyl)aniline

C19H26N2 — CID 63551327

IUPACN-ethyl-3-methyl-N-phenyl-4-(propylaminomethyl)aniline
SMILESCCCNCc1ccc(N(CC)c2ccccc2)cc1C
InChIInChI=1S/C19H26N2/c1-4-13-20-15-17-11-12-19(14-16(17)3)21(5-2)18-9-7-6-8-10-18/h6-12,14,20H,4-5,13,15H2,1-3H3
InChIKeyUCLJBENCJINVSC-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.65
Rot. Bonds7

About N-ethyl-3-methyl-N-phenyl-4-(propylaminomethyl)aniline

N-ethyl-3-methyl-N-phenyl-4-(propylaminomethyl)aniline (PubChem CID 63551327) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-ethyl-3-methyl-N-phenyl-4-(propylaminomethyl)aniline.

Molecular Properties

Compound NameN-ethyl-3-methyl-N-phenyl-4-(propylaminomethyl)aniline
PubChem CID63551327
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN-ethyl-3-methyl-N-phenyl-4-(propylaminomethyl)aniline
SMILESCCCNCc1ccc(N(CC)c2ccccc2)cc1C
InChIInChI=1S/C19H26N2/c1-4-13-20-15-17-11-12-19(14-16(17)3)21(5-2)18-9-7-6-8-10-18/h6-12,14,20H,4-5,13,15H2,1-3H3
InChIKeyUCLJBENCJINVSC-UHFFFAOYSA-N
XLogP4.65
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 ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-3-methyl-N-phenyl-4-(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-ethyl-3-methyl-N-propan-2-yl-4-(propylaminomethyl)aniline
CID 62134332
N-ethyl-4-(ethylaminomethyl)-N-(4-fluorophenyl)-3-methylaniline
CID 63553268
N-ethyl-N-(4-methylphenyl)-2-(propylaminomethyl)aniline
CID 63551592
N-ethyl-N-(3-fluorophenyl)-2-(propylaminomethyl)aniline
CID 63551209
N-ethyl-N-(4-fluorophenyl)-2-(propylaminomethyl)aniline
CID 63550661
N-ethyl-4-methyl-N-phenyl-5-(propylaminomethyl)pyrimidin-2-amine
CID 83180589
2-[3-methyl-N-propyl-4-(propylaminomethyl)anilino]ethanol
CID 62135723
4-(N-ethylanilino)-2-methylbenzaldehyde
CID 62135921
4-(butylaminomethyl)-N-ethyl-3-methyl-N-propylaniline
CID 145098744
N-methyl-N-[3-methyl-4-(propylaminomethyl)phenyl]oxan-4-amine
CID 62136388
N-benzyl-N-ethyl-4-(ethylaminomethyl)-3-methylaniline
CID 62135526
N,3-dimethyl-4-(propylaminomethyl)-N-(2-thiophen-2-ylethyl)aniline
CID 79488923

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-N-phenyl-4-(propylaminomethyl)aniline?
The IUPAC name of N-ethyl-3-methyl-N-phenyl-4-(propylaminomethyl)aniline (CID 63551327) is N-ethyl-3-methyl-N-phenyl-4-(propylaminomethyl)aniline.
What is the SMILES notation for N-ethyl-3-methyl-N-phenyl-4-(propylaminomethyl)aniline?
The canonical SMILES for N-ethyl-3-methyl-N-phenyl-4-(propylaminomethyl)aniline is CCCNCc1ccc(N(CC)c2ccccc2)cc1C.
What is the InChIKey of N-ethyl-3-methyl-N-phenyl-4-(propylaminomethyl)aniline?
The InChIKey is UCLJBENCJINVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-4-13-20-15-17-11-12-19(14-16(17)3)21(5-2)18-9-7-6-8-10-18/h6-12,14,20H,4-5,13,15H2,1-3H3.
What are the key properties of N-ethyl-3-methyl-N-phenyl-4-(propylaminomethyl)aniline?
N-ethyl-3-methyl-N-phenyl-4-(propylaminomethyl)aniline has a molecular weight of 282.43 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-N-phenyl-4-(propylaminomethyl)aniline is sourced from PubChem (CID 63551327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).