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

C18H32N2 — CID 79477411

IUPAC2-N-ethyl-1-(4-ethylphenyl)-2-N-(2-methylbutyl)propane-1,2-diamine
SMILESCCc1ccc(C(N)C(C)N(CC)CC(C)CC)cc1
InChIInChI=1S/C18H32N2/c1-6-14(4)13-20(8-3)15(5)18(19)17-11-9-16(7-2)10-12-17/h9-12,14-15,18H,6-8,13,19H2,1-5H3
InChIKeyITRLFBZOXMQJCZ-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.01
Rot. Bonds8

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

2-N-ethyl-1-(4-ethylphenyl)-2-N-(2-methylbutyl)propane-1,2-diamine (PubChem CID 79477411) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 2-N-ethyl-1-(4-ethylphenyl)-2-N-(2-methylbutyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-1-(4-ethylphenyl)-2-N-(2-methylbutyl)propane-1,2-diamine
PubChem CID79477411
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name2-N-ethyl-1-(4-ethylphenyl)-2-N-(2-methylbutyl)propane-1,2-diamine
SMILESCCc1ccc(C(N)C(C)N(CC)CC(C)CC)cc1
InChIInChI=1S/C18H32N2/c1-6-14(4)13-20(8-3)15(5)18(19)17-11-9-16(7-2)10-12-17/h9-12,14-15,18H,6-8,13,19H2,1-5H3
InChIKeyITRLFBZOXMQJCZ-UHFFFAOYSA-N
XLogP4.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-ethyl-2-N-(2-ethylbutyl)-1-(4-ethylphenyl)propane-1,2-diamine
CID 63469585
2-N,2-N-dibutyl-1-(4-ethylphenyl)propane-1,2-diamine
CID 43309942
2-N-ethyl-2-N-(2-ethylbutyl)-1-phenylpropane-1,2-diamine
CID 61436521
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
(1R,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol
CID 93284110
1-N-ethyl-1-N-(2-methylbutyl)-1-phenylpropane-1,2-diamine
CID 79476713
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-1-(4-ethylphenyl)-2-N-(2-methylbutyl)propane-1,2-diamine?
The IUPAC name of 2-N-ethyl-1-(4-ethylphenyl)-2-N-(2-methylbutyl)propane-1,2-diamine (CID 79477411) is 2-N-ethyl-1-(4-ethylphenyl)-2-N-(2-methylbutyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-1-(4-ethylphenyl)-2-N-(2-methylbutyl)propane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-1-(4-ethylphenyl)-2-N-(2-methylbutyl)propane-1,2-diamine is CCc1ccc(C(N)C(C)N(CC)CC(C)CC)cc1.
What is the InChIKey of 2-N-ethyl-1-(4-ethylphenyl)-2-N-(2-methylbutyl)propane-1,2-diamine?
The InChIKey is ITRLFBZOXMQJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-6-14(4)13-20(8-3)15(5)18(19)17-11-9-16(7-2)10-12-17/h9-12,14-15,18H,6-8,13,19H2,1-5H3.
What are the key properties of 2-N-ethyl-1-(4-ethylphenyl)-2-N-(2-methylbutyl)propane-1,2-diamine?
2-N-ethyl-1-(4-ethylphenyl)-2-N-(2-methylbutyl)propane-1,2-diamine has a molecular weight of 276.47 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-1-(4-ethylphenyl)-2-N-(2-methylbutyl)propane-1,2-diamine is sourced from PubChem (CID 79477411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).