1-(3-chlorophenyl)-N'-[1-(dimethylamino)propan-2-yl]-N'-ethylpropane-1,3-diamine

C16H28ClN3 — CID 103191368

IUPAC1-(3-chlorophenyl)-N'-[1-(dimethylamino)propan-2-yl]-N'-ethylpropane-1,3-diamine
SMILESCCN(CCC(N)c1cccc(Cl)c1)C(C)CN(C)C
InChIInChI=1S/C16H28ClN3/c1-5-20(13(2)12-19(3)4)10-9-16(18)14-7-6-8-15(17)11-14/h6-8,11,13,16H,5,9-10,12,18H2,1-4H3
InChIKeyGWUMIRVVFYHDJD-UHFFFAOYSA-N
MW297.87 g/mol
LogP3.00
Rot. Bonds8

About 1-(3-chlorophenyl)-N'-[1-(dimethylamino)propan-2-yl]-N'-ethylpropane-1,3-diamine

1-(3-chlorophenyl)-N'-[1-(dimethylamino)propan-2-yl]-N'-ethylpropane-1,3-diamine (PubChem CID 103191368) has the molecular formula C16H28ClN3 and a molecular weight of 297.87 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N'-[1-(dimethylamino)propan-2-yl]-N'-ethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N'-[1-(dimethylamino)propan-2-yl]-N'-ethylpropane-1,3-diamine
PubChem CID103191368
Molecular FormulaC16H28ClN3
Molecular Weight297.87 g/mol
Exact Mass297.20
IUPAC Name1-(3-chlorophenyl)-N'-[1-(dimethylamino)propan-2-yl]-N'-ethylpropane-1,3-diamine
SMILESCCN(CCC(N)c1cccc(Cl)c1)C(C)CN(C)C
InChIInChI=1S/C16H28ClN3/c1-5-20(13(2)12-19(3)4)10-9-16(18)14-7-6-8-15(17)11-14/h6-8,11,13,16H,5,9-10,12,18H2,1-4H3
InChIKeyGWUMIRVVFYHDJD-UHFFFAOYSA-N
XLogP3.00
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.87
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-chlorophenyl)-N'-[1-(dimethylamino)propan-2-yl]-N'-ethylpropane-1,3-diamine with MolForge

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Related Compounds

N'-butan-2-yl-1-(3-chlorophenyl)-N'-ethylpropane-1,3-diamine
CID 55098796
1-(3-chlorophenyl)-N',N'-dimethylethane-1,2-diamine
CID 79093670
(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'-(1-cyclopropylethyl)-N'-methylpropane-1,3-diamine
CID 55098457
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
1-(3-chlorophenyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine
CID 62625223
1-(3-chlorophenyl)-N'-(2-ethoxyethyl)-N'-ethylpropane-1,3-diamine
CID 63691060
1-(3-chlorophenyl)-N'-ethyl-N'-(2-methylphenyl)propane-1,3-diamine
CID 63483059
1-(3-chlorophenyl)-N'-ethyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 63495320

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N'-[1-(dimethylamino)propan-2-yl]-N'-ethylpropane-1,3-diamine?
The IUPAC name of 1-(3-chlorophenyl)-N'-[1-(dimethylamino)propan-2-yl]-N'-ethylpropane-1,3-diamine (CID 103191368) is 1-(3-chlorophenyl)-N'-[1-(dimethylamino)propan-2-yl]-N'-ethylpropane-1,3-diamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N'-[1-(dimethylamino)propan-2-yl]-N'-ethylpropane-1,3-diamine?
The canonical SMILES for 1-(3-chlorophenyl)-N'-[1-(dimethylamino)propan-2-yl]-N'-ethylpropane-1,3-diamine is CCN(CCC(N)c1cccc(Cl)c1)C(C)CN(C)C.
What is the InChIKey of 1-(3-chlorophenyl)-N'-[1-(dimethylamino)propan-2-yl]-N'-ethylpropane-1,3-diamine?
The InChIKey is GWUMIRVVFYHDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28ClN3/c1-5-20(13(2)12-19(3)4)10-9-16(18)14-7-6-8-15(17)11-14/h6-8,11,13,16H,5,9-10,12,18H2,1-4H3.
What are the key properties of 1-(3-chlorophenyl)-N'-[1-(dimethylamino)propan-2-yl]-N'-ethylpropane-1,3-diamine?
1-(3-chlorophenyl)-N'-[1-(dimethylamino)propan-2-yl]-N'-ethylpropane-1,3-diamine has a molecular weight of 297.87 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N'-[1-(dimethylamino)propan-2-yl]-N'-ethylpropane-1,3-diamine is sourced from PubChem (CID 103191368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).