1-(3-chlorophenyl)-N'-(furan-2-ylmethyl)-N'-methylpropane-1,3-diamine

C15H19ClN2O — CID 62630263

IUPAC1-(3-chlorophenyl)-N'-(furan-2-ylmethyl)-N'-methylpropane-1,3-diamine
SMILESCN(CCC(N)c1cccc(Cl)c1)Cc1ccco1
InChIInChI=1S/C15H19ClN2O/c1-18(11-14-6-3-9-19-14)8-7-15(17)12-4-2-5-13(16)10-12/h2-6,9-10,15H,7-8,11,17H2,1H3
InChIKeyYVKLSFKBJJGFDH-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.45
Rot. Bonds6

About 1-(3-chlorophenyl)-N'-(furan-2-ylmethyl)-N'-methylpropane-1,3-diamine

1-(3-chlorophenyl)-N'-(furan-2-ylmethyl)-N'-methylpropane-1,3-diamine (PubChem CID 62630263) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N'-(furan-2-ylmethyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N'-(furan-2-ylmethyl)-N'-methylpropane-1,3-diamine
PubChem CID62630263
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name1-(3-chlorophenyl)-N'-(furan-2-ylmethyl)-N'-methylpropane-1,3-diamine
SMILESCN(CCC(N)c1cccc(Cl)c1)Cc1ccco1
InChIInChI=1S/C15H19ClN2O/c1-18(11-14-6-3-9-19-14)8-7-15(17)12-4-2-5-13(16)10-12/h2-6,9-10,15H,7-8,11,17H2,1H3
InChIKeyYVKLSFKBJJGFDH-UHFFFAOYSA-N
XLogP3.45
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine
CID 62625223
1-(3-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-one
CID 62629516
N'-(furan-2-ylmethyl)-N',2-dimethylbutane-1,4-diamine
CID 81079891
N'-(furan-2-ylmethyl)-N'-methyl-1-phenylethane-1,2-diamine
CID 43527008
1-(3-chlorophenyl)-N'-(3,3-dimethylbutan-2-yl)-N'-methylpropane-1,3-diamine
CID 62630281
1-(3-bromophenyl)-N'-(furan-2-ylmethyl)-N,N'-dimethylpropane-1,3-diamine
CID 62617201
N'-butan-2-yl-1-(3-chlorophenyl)-N'-ethylpropane-1,3-diamine
CID 55098796
1-(2-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-ol
CID 55099549
1-(3-chlorophenyl)-N'-(1-cyclopropylethyl)-N'-methylpropane-1,3-diamine
CID 55098457
1-(3-chlorophenyl)-N'-[1-(dimethylamino)propan-2-yl]-N'-ethylpropane-1,3-diamine
CID 103191368
1-(3-chlorophenyl)-N'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62628937
(1R)-1-(3-chlorophenyl)propane-1,3-diamine;hydrochloride
CID 171199565

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N'-(furan-2-ylmethyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of 1-(3-chlorophenyl)-N'-(furan-2-ylmethyl)-N'-methylpropane-1,3-diamine (CID 62630263) is 1-(3-chlorophenyl)-N'-(furan-2-ylmethyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N'-(furan-2-ylmethyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for 1-(3-chlorophenyl)-N'-(furan-2-ylmethyl)-N'-methylpropane-1,3-diamine is CN(CCC(N)c1cccc(Cl)c1)Cc1ccco1.
What is the InChIKey of 1-(3-chlorophenyl)-N'-(furan-2-ylmethyl)-N'-methylpropane-1,3-diamine?
The InChIKey is YVKLSFKBJJGFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-18(11-14-6-3-9-19-14)8-7-15(17)12-4-2-5-13(16)10-12/h2-6,9-10,15H,7-8,11,17H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-N'-(furan-2-ylmethyl)-N'-methylpropane-1,3-diamine?
1-(3-chlorophenyl)-N'-(furan-2-ylmethyl)-N'-methylpropane-1,3-diamine has a molecular weight of 278.78 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N'-(furan-2-ylmethyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 62630263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).