N'-butan-2-yl-1-(3-chlorophenyl)-N'-ethylpropane-1,3-diamine

C15H25ClN2 — CID 55098796

IUPACN'-butan-2-yl-1-(3-chlorophenyl)-N'-ethylpropane-1,3-diamine
SMILESCCC(C)N(CC)CCC(N)c1cccc(Cl)c1
InChIInChI=1S/C15H25ClN2/c1-4-12(3)18(5-2)10-9-15(17)13-7-6-8-14(16)11-13/h6-8,11-12,15H,4-5,9-10,17H2,1-3H3
InChIKeyUDGZOJHXJBQMFA-UHFFFAOYSA-N
MW268.83 g/mol
LogP3.85
Rot. Bonds7

About N'-butan-2-yl-1-(3-chlorophenyl)-N'-ethylpropane-1,3-diamine

N'-butan-2-yl-1-(3-chlorophenyl)-N'-ethylpropane-1,3-diamine (PubChem CID 55098796) has the molecular formula C15H25ClN2 and a molecular weight of 268.83 g/mol. Its IUPAC name is N'-butan-2-yl-1-(3-chlorophenyl)-N'-ethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-1-(3-chlorophenyl)-N'-ethylpropane-1,3-diamine
PubChem CID55098796
Molecular FormulaC15H25ClN2
Molecular Weight268.83 g/mol
Exact Mass268.17
IUPAC NameN'-butan-2-yl-1-(3-chlorophenyl)-N'-ethylpropane-1,3-diamine
SMILESCCC(C)N(CC)CCC(N)c1cccc(Cl)c1
InChIInChI=1S/C15H25ClN2/c1-4-12(3)18(5-2)10-9-15(17)13-7-6-8-14(16)11-13/h6-8,11-12,15H,4-5,9-10,17H2,1-3H3
InChIKeyUDGZOJHXJBQMFA-UHFFFAOYSA-N
XLogP3.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.83
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-N'-[1-(dimethylamino)propan-2-yl]-N'-ethylpropane-1,3-diamine
CID 103191368
N'-butan-2-yl-N'-ethyl-1-phenylbutane-1,4-diamine
CID 63321755
1-(3-chlorophenyl)-1-N-ethyl-1-N-propylpropane-1,2-diamine
CID 55019355
1-(3-chlorophenyl)-N'-ethyl-N'-(2-methoxyethyl)propane-1,3-diamine
CID 55098411
N'-[1-(3-chlorophenyl)ethyl]-N'-ethylethane-1,2-diamine;dihydrochloride
CID 170305796
N'-[(1R)-1-(3-chlorophenyl)ethyl]-N'-ethylethane-1,2-diamine;hydrochloride
CID 176718534
(1S)-1-(3-chlorophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171219117
1-(3-chlorophenyl)-N'-(3,3-dimethylbutan-2-yl)-N'-methylpropane-1,3-diamine
CID 62630281
1-(3-chlorophenyl)-N'-(2-ethoxyethyl)-N'-ethylpropane-1,3-diamine
CID 63691060
1-(3-chlorophenyl)-N'-ethyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 63495320
1-(3-chlorophenyl)-N'-ethyl-N'-(2-methylphenyl)propane-1,3-diamine
CID 63483059
N'-ethyl-1-(3-fluorophenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62645505

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-1-(3-chlorophenyl)-N'-ethylpropane-1,3-diamine?
The IUPAC name of N'-butan-2-yl-1-(3-chlorophenyl)-N'-ethylpropane-1,3-diamine (CID 55098796) is N'-butan-2-yl-1-(3-chlorophenyl)-N'-ethylpropane-1,3-diamine.
What is the SMILES notation for N'-butan-2-yl-1-(3-chlorophenyl)-N'-ethylpropane-1,3-diamine?
The canonical SMILES for N'-butan-2-yl-1-(3-chlorophenyl)-N'-ethylpropane-1,3-diamine is CCC(C)N(CC)CCC(N)c1cccc(Cl)c1.
What is the InChIKey of N'-butan-2-yl-1-(3-chlorophenyl)-N'-ethylpropane-1,3-diamine?
The InChIKey is UDGZOJHXJBQMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2/c1-4-12(3)18(5-2)10-9-15(17)13-7-6-8-14(16)11-13/h6-8,11-12,15H,4-5,9-10,17H2,1-3H3.
What are the key properties of N'-butan-2-yl-1-(3-chlorophenyl)-N'-ethylpropane-1,3-diamine?
N'-butan-2-yl-1-(3-chlorophenyl)-N'-ethylpropane-1,3-diamine has a molecular weight of 268.83 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-1-(3-chlorophenyl)-N'-ethylpropane-1,3-diamine is sourced from PubChem (CID 55098796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).