2-N-ethyl-2-N-(2-ethylbutyl)-1-(4-ethylphenyl)propane-1,2-diamine

C19H34N2 — CID 63469585

IUPAC2-N-ethyl-2-N-(2-ethylbutyl)-1-(4-ethylphenyl)propane-1,2-diamine
SMILESCCc1ccc(C(N)C(C)N(CC)CC(CC)CC)cc1
InChIInChI=1S/C19H34N2/c1-6-16(7-2)14-21(9-4)15(5)19(20)18-12-10-17(8-3)11-13-18/h10-13,15-16,19H,6-9,14,20H2,1-5H3
InChIKeyWZPUEWKBOCFHIF-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.40
Rot. Bonds9

About 2-N-ethyl-2-N-(2-ethylbutyl)-1-(4-ethylphenyl)propane-1,2-diamine

2-N-ethyl-2-N-(2-ethylbutyl)-1-(4-ethylphenyl)propane-1,2-diamine (PubChem CID 63469585) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 2-N-ethyl-2-N-(2-ethylbutyl)-1-(4-ethylphenyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-(2-ethylbutyl)-1-(4-ethylphenyl)propane-1,2-diamine
PubChem CID63469585
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name2-N-ethyl-2-N-(2-ethylbutyl)-1-(4-ethylphenyl)propane-1,2-diamine
SMILESCCc1ccc(C(N)C(C)N(CC)CC(CC)CC)cc1
InChIInChI=1S/C19H34N2/c1-6-16(7-2)14-21(9-4)15(5)19(20)18-12-10-17(8-3)11-13-18/h10-13,15-16,19H,6-9,14,20H2,1-5H3
InChIKeyWZPUEWKBOCFHIF-UHFFFAOYSA-N
XLogP4.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-ethyl-1-(4-ethylphenyl)-2-N-(2-methylbutyl)propane-1,2-diamine
CID 79477411
2-N-ethyl-2-N-(2-ethylbutyl)-1-phenylpropane-1,2-diamine
CID 61436521
2-N,2-N-dibutyl-1-(4-ethylphenyl)propane-1,2-diamine
CID 43309942
2-N-ethyl-2-N-(2-methylpropyl)-1-phenylpropane-1,2-diamine
CID 43273646
1-(4-ethylphenyl)-2-N-methyl-2-N-propylpropane-1,2-diamine
CID 43309968
2-N,2-N-diethyl-1-phenylpropane-1,2-diamine
CID 16784984
(1R)-1-(4-ethylphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171211240
2-N-ethyl-2-N-(2-ethylbutyl)-1-phenylbutane-1,2-diamine
CID 63467588
(1R,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol
CID 93284110
2-N-(cyclobutylmethyl)-1-(4-ethylphenyl)-2-N-methylpropane-1,2-diamine
CID 55125992
1-(4-ethylphenyl)-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 60890609
(1R)-1-(4-ethylphenyl)ethanamine
CID 2063952

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-(2-ethylbutyl)-1-(4-ethylphenyl)propane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N-(2-ethylbutyl)-1-(4-ethylphenyl)propane-1,2-diamine (CID 63469585) is 2-N-ethyl-2-N-(2-ethylbutyl)-1-(4-ethylphenyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-(2-ethylbutyl)-1-(4-ethylphenyl)propane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N-(2-ethylbutyl)-1-(4-ethylphenyl)propane-1,2-diamine is CCc1ccc(C(N)C(C)N(CC)CC(CC)CC)cc1.
What is the InChIKey of 2-N-ethyl-2-N-(2-ethylbutyl)-1-(4-ethylphenyl)propane-1,2-diamine?
The InChIKey is WZPUEWKBOCFHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-6-16(7-2)14-21(9-4)15(5)19(20)18-12-10-17(8-3)11-13-18/h10-13,15-16,19H,6-9,14,20H2,1-5H3.
What are the key properties of 2-N-ethyl-2-N-(2-ethylbutyl)-1-(4-ethylphenyl)propane-1,2-diamine?
2-N-ethyl-2-N-(2-ethylbutyl)-1-(4-ethylphenyl)propane-1,2-diamine has a molecular weight of 290.50 g/mol, XLogP of 4.40, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-(2-ethylbutyl)-1-(4-ethylphenyl)propane-1,2-diamine is sourced from PubChem (CID 63469585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).