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

C15H25ClN2 — CID 55019550

IUPAC1-N-butan-2-yl-1-(3-chlorophenyl)-1-N-ethylpropane-1,2-diamine
SMILESCCC(C)N(CC)C(c1cccc(Cl)c1)C(C)N
InChIInChI=1S/C15H25ClN2/c1-5-11(3)18(6-2)15(12(4)17)13-8-7-9-14(16)10-13/h7-12,15H,5-6,17H2,1-4H3
InChIKeyBBYOGDXGERWOJO-UHFFFAOYSA-N
MW268.83 g/mol
LogP3.85
Rot. Bonds6

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

1-N-butan-2-yl-1-(3-chlorophenyl)-1-N-ethylpropane-1,2-diamine (PubChem CID 55019550) has the molecular formula C15H25ClN2 and a molecular weight of 268.83 g/mol. Its IUPAC name is 1-N-butan-2-yl-1-(3-chlorophenyl)-1-N-ethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-butan-2-yl-1-(3-chlorophenyl)-1-N-ethylpropane-1,2-diamine
PubChem CID55019550
Molecular FormulaC15H25ClN2
Molecular Weight268.83 g/mol
Exact Mass268.17
IUPAC Name1-N-butan-2-yl-1-(3-chlorophenyl)-1-N-ethylpropane-1,2-diamine
SMILESCCC(C)N(CC)C(c1cccc(Cl)c1)C(C)N
InChIInChI=1S/C15H25ClN2/c1-5-11(3)18(6-2)15(12(4)17)13-8-7-9-14(16)10-13/h7-12,15H,5-6,17H2,1-4H3
InChIKeyBBYOGDXGERWOJO-UHFFFAOYSA-N
XLogP3.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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)-1-N-ethyl-1-N-propylpropane-1,2-diamine
CID 55019355
1-[[2-amino-1-(3-chlorophenyl)propyl]-ethylamino]-2-methylpropan-2-ol
CID 79384699
1-N-butyl-1-(3-chlorophenyl)-1-N-methylpropane-1,2-diamine
CID 55019737
3-[[2-amino-1-(3-chlorophenyl)propyl]-methylamino]butanenitrile
CID 55174518
2-[[2-amino-1-(3-chlorophenyl)propyl]-butylamino]ethanol
CID 55019360
1-(3-chlorophenyl)-N-ethyl-N-propan-2-ylethane-1,2-diamine
CID 43265560
N'-butan-2-yl-1-(3-chlorophenyl)-N'-ethylpropane-1,3-diamine
CID 55098796
N-butan-2-yl-N-butyl-1-(3-chlorophenyl)ethane-1,2-diamine
CID 60710064
3-[[2-amino-1-(3-chlorophenyl)propyl]-methylamino]-2-methylpropanenitrile
CID 55019747
1-(3-chlorophenyl)-1-N-cyclopropyl-1-N-methylbutane-1,2-diamine
CID 55020028
(1S,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743755
(1R,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743759

Frequently Asked Questions

What is the IUPAC name of 1-N-butan-2-yl-1-(3-chlorophenyl)-1-N-ethylpropane-1,2-diamine?
The IUPAC name of 1-N-butan-2-yl-1-(3-chlorophenyl)-1-N-ethylpropane-1,2-diamine (CID 55019550) is 1-N-butan-2-yl-1-(3-chlorophenyl)-1-N-ethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-butan-2-yl-1-(3-chlorophenyl)-1-N-ethylpropane-1,2-diamine?
The canonical SMILES for 1-N-butan-2-yl-1-(3-chlorophenyl)-1-N-ethylpropane-1,2-diamine is CCC(C)N(CC)C(c1cccc(Cl)c1)C(C)N.
What is the InChIKey of 1-N-butan-2-yl-1-(3-chlorophenyl)-1-N-ethylpropane-1,2-diamine?
The InChIKey is BBYOGDXGERWOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2/c1-5-11(3)18(6-2)15(12(4)17)13-8-7-9-14(16)10-13/h7-12,15H,5-6,17H2,1-4H3.
What are the key properties of 1-N-butan-2-yl-1-(3-chlorophenyl)-1-N-ethylpropane-1,2-diamine?
1-N-butan-2-yl-1-(3-chlorophenyl)-1-N-ethylpropane-1,2-diamine has a molecular weight of 268.83 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butan-2-yl-1-(3-chlorophenyl)-1-N-ethylpropane-1,2-diamine is sourced from PubChem (CID 55019550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).