1-(4-ethylphenyl)-1-N,2-N-dimethyl-2-N-(4-methylpentan-2-yl)propane-1,2-diamine

C19H34N2 — CID 63467800

IUPAC1-(4-ethylphenyl)-1-N,2-N-dimethyl-2-N-(4-methylpentan-2-yl)propane-1,2-diamine
SMILESCCc1ccc(C(NC)C(C)N(C)C(C)CC(C)C)cc1
InChIInChI=1S/C19H34N2/c1-8-17-9-11-18(12-10-17)19(20-6)16(5)21(7)15(4)13-14(2)3/h9-12,14-16,19-20H,8,13H2,1-7H3
InChIKeyBOUREGILUDPJAK-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.26
Rot. Bonds8

About 1-(4-ethylphenyl)-1-N,2-N-dimethyl-2-N-(4-methylpentan-2-yl)propane-1,2-diamine

1-(4-ethylphenyl)-1-N,2-N-dimethyl-2-N-(4-methylpentan-2-yl)propane-1,2-diamine (PubChem CID 63467800) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-1-N,2-N-dimethyl-2-N-(4-methylpentan-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-1-N,2-N-dimethyl-2-N-(4-methylpentan-2-yl)propane-1,2-diamine
PubChem CID63467800
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name1-(4-ethylphenyl)-1-N,2-N-dimethyl-2-N-(4-methylpentan-2-yl)propane-1,2-diamine
SMILESCCc1ccc(C(NC)C(C)N(C)C(C)CC(C)C)cc1
InChIInChI=1S/C19H34N2/c1-8-17-9-11-18(12-10-17)19(20-6)16(5)21(7)15(4)13-14(2)3/h9-12,14-16,19-20H,8,13H2,1-7H3
InChIKeyBOUREGILUDPJAK-UHFFFAOYSA-N
XLogP4.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-ethylphenyl)-1-N,2-N-dimethyl-2-N-(4-methylpentan-2-yl)propane-1,2-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

1-(4-ethylphenyl)-1-N-methylpropane-1,2-diamine
CID 116948027
1-(4-ethylphenyl)-1-N,2-N-dimethyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine
CID 63982925
2-N-cyclopentyl-2-N-ethyl-1-(4-ethylphenyl)-1-N-methylpropane-1,2-diamine
CID 63468460
1-(4-ethylphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
CID 103309571
1-(4-ethylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 43480542
1-N-[1-(4-ethylphenyl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 43111554
2-(2,2-difluoroethoxy)-1-(4-ethylphenyl)-N-methylpropan-1-amine
CID 82004948
(4-ethylphenyl)-(methylamino)methanethiol
CID 116954449
1-(4-ethylphenyl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-amine
CID 66275433
2-N-butyl-1-N-ethyl-1-(4-ethylphenyl)-2-N-methylpropane-1,2-diamine
CID 63465127
1-(4-ethylphenyl)-N,5-dimethylhexan-1-amine
CID 83161767
2-(3,3-dimethylbutoxy)-1-(4-ethylphenyl)-N-methylpropan-1-amine
CID 66234272

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-1-N,2-N-dimethyl-2-N-(4-methylpentan-2-yl)propane-1,2-diamine?
The IUPAC name of 1-(4-ethylphenyl)-1-N,2-N-dimethyl-2-N-(4-methylpentan-2-yl)propane-1,2-diamine (CID 63467800) is 1-(4-ethylphenyl)-1-N,2-N-dimethyl-2-N-(4-methylpentan-2-yl)propane-1,2-diamine.
What is the SMILES notation for 1-(4-ethylphenyl)-1-N,2-N-dimethyl-2-N-(4-methylpentan-2-yl)propane-1,2-diamine?
The canonical SMILES for 1-(4-ethylphenyl)-1-N,2-N-dimethyl-2-N-(4-methylpentan-2-yl)propane-1,2-diamine is CCc1ccc(C(NC)C(C)N(C)C(C)CC(C)C)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-1-N,2-N-dimethyl-2-N-(4-methylpentan-2-yl)propane-1,2-diamine?
The InChIKey is BOUREGILUDPJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-8-17-9-11-18(12-10-17)19(20-6)16(5)21(7)15(4)13-14(2)3/h9-12,14-16,19-20H,8,13H2,1-7H3.
What are the key properties of 1-(4-ethylphenyl)-1-N,2-N-dimethyl-2-N-(4-methylpentan-2-yl)propane-1,2-diamine?
1-(4-ethylphenyl)-1-N,2-N-dimethyl-2-N-(4-methylpentan-2-yl)propane-1,2-diamine has a molecular weight of 290.50 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-1-N,2-N-dimethyl-2-N-(4-methylpentan-2-yl)propane-1,2-diamine is sourced from PubChem (CID 63467800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).