N'-(4-ethylphenyl)-N',2-dimethyl-1-phenylpropane-1,3-diamine

C19H26N2 — CID 62619815

IUPACN'-(4-ethylphenyl)-N',2-dimethyl-1-phenylpropane-1,3-diamine
SMILESCCc1ccc(N(C)CC(C)C(N)c2ccccc2)cc1
InChIInChI=1S/C19H26N2/c1-4-16-10-12-18(13-11-16)21(3)14-15(2)19(20)17-8-6-5-7-9-17/h5-13,15,19H,4,14,20H2,1-3H3
InChIKeyUUAHTHYHGABUJK-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.02
Rot. Bonds6

About N'-(4-ethylphenyl)-N',2-dimethyl-1-phenylpropane-1,3-diamine

N'-(4-ethylphenyl)-N',2-dimethyl-1-phenylpropane-1,3-diamine (PubChem CID 62619815) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N'-(4-ethylphenyl)-N',2-dimethyl-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-ethylphenyl)-N',2-dimethyl-1-phenylpropane-1,3-diamine
PubChem CID62619815
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN'-(4-ethylphenyl)-N',2-dimethyl-1-phenylpropane-1,3-diamine
SMILESCCc1ccc(N(C)CC(C)C(N)c2ccccc2)cc1
InChIInChI=1S/C19H26N2/c1-4-16-10-12-18(13-11-16)21(3)14-15(2)19(20)17-8-6-5-7-9-17/h5-13,15,19H,4,14,20H2,1-3H3
InChIKeyUUAHTHYHGABUJK-UHFFFAOYSA-N
XLogP4.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N'-(4-ethylphenyl)-N',2-dimethyl-1-phenylpropane-1,3-diamine 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',N',2-trimethyl-1-phenylpropane-1,3-diamine
CID 62618546
3-N-(4-ethylphenyl)-3-N-methylpropane-1,2,3-triamine
CID 115119487
N'-ethyl-2-methyl-N'-(2-methylpropyl)-1-phenylpropane-1,3-diamine
CID 62618547
N'-butan-2-yl-N'-ethyl-2-methyl-1-phenylpropane-1,3-diamine
CID 62617195
1-(2-fluorophenyl)-N',2-dimethyl-N'-phenylpropane-1,3-diamine
CID 115996681
(1R)-1-(4-ethylphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171211240
1-(4-ethylphenyl)-2-methylpropane-1,3-diamine
CID 116933036
(2S)-1-N-methyl-1-N-phenylpropane-1,2-diamine
CID 22689433
N'-(3,3-dimethylbutan-2-yl)-N',2-dimethyl-1-phenylpropane-1,3-diamine
CID 62617394
3-amino-N-[(4-ethylphenyl)methyl]-N,2-dimethyl-3-phenylpropanamide
CID 119681290
N-ethyl-1-(4-ethylphenyl)-N'-methyl-N'-phenylethane-1,2-diamine
CID 63466547
2-[(3-amino-2-methyl-3-phenylpropyl)-(2-hydroxyethyl)amino]ethanol
CID 62619271

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethylphenyl)-N',2-dimethyl-1-phenylpropane-1,3-diamine?
The IUPAC name of N'-(4-ethylphenyl)-N',2-dimethyl-1-phenylpropane-1,3-diamine (CID 62619815) is N'-(4-ethylphenyl)-N',2-dimethyl-1-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-(4-ethylphenyl)-N',2-dimethyl-1-phenylpropane-1,3-diamine?
The canonical SMILES for N'-(4-ethylphenyl)-N',2-dimethyl-1-phenylpropane-1,3-diamine is CCc1ccc(N(C)CC(C)C(N)c2ccccc2)cc1.
What is the InChIKey of N'-(4-ethylphenyl)-N',2-dimethyl-1-phenylpropane-1,3-diamine?
The InChIKey is UUAHTHYHGABUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-4-16-10-12-18(13-11-16)21(3)14-15(2)19(20)17-8-6-5-7-9-17/h5-13,15,19H,4,14,20H2,1-3H3.
What are the key properties of N'-(4-ethylphenyl)-N',2-dimethyl-1-phenylpropane-1,3-diamine?
N'-(4-ethylphenyl)-N',2-dimethyl-1-phenylpropane-1,3-diamine has a molecular weight of 282.43 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethylphenyl)-N',2-dimethyl-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 62619815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).