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

C16H18ClFN2 — CID 62628937

IUPAC1-(3-chlorophenyl)-N'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine
SMILESCN(CCC(N)c1cccc(Cl)c1)c1ccccc1F
InChIInChI=1S/C16H18ClFN2/c1-20(16-8-3-2-7-14(16)18)10-9-15(19)12-5-4-6-13(17)11-12/h2-8,11,15H,9-10,19H2,1H3
InChIKeyPKBPVMKBTQKOQW-UHFFFAOYSA-N
MW292.79 g/mol
LogP4.01
Rot. Bonds5

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

1-(3-chlorophenyl)-N'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine (PubChem CID 62628937) has the molecular formula C16H18ClFN2 and a molecular weight of 292.79 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine
PubChem CID62628937
Molecular FormulaC16H18ClFN2
Molecular Weight292.79 g/mol
Exact Mass292.11
IUPAC Name1-(3-chlorophenyl)-N'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine
SMILESCN(CCC(N)c1cccc(Cl)c1)c1ccccc1F
InChIInChI=1S/C16H18ClFN2/c1-20(16-8-3-2-7-14(16)18)10-9-15(19)12-5-4-6-13(17)11-12/h2-8,11,15H,9-10,19H2,1H3
InChIKeyPKBPVMKBTQKOQW-UHFFFAOYSA-N
XLogP4.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[3-amino-3-(3-chlorophenyl)propyl]-methylamino]phenol
CID 62630754
1-(3-chlorophenyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 62630981
1-(3-chlorophenyl)-N'-ethyl-N'-(2-methylphenyl)propane-1,3-diamine
CID 63483059
(1R)-1-(3-chlorophenyl)propane-1,3-diamine;hydrochloride
CID 171199565
1-(3-chlorophenyl)-N'-(3,3-dimethylbutan-2-yl)-N'-methylpropane-1,3-diamine
CID 62630281
1-(3-chlorophenyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine
CID 62625223
1-(4-chlorophenyl)-N'-ethyl-N'-(2-fluorophenyl)propane-1,3-diamine
CID 63493331
1-(3-chlorophenyl)-N',N'-dimethylethane-1,2-diamine
CID 79093670
N'-butan-2-yl-1-(3-chlorophenyl)-N'-ethylpropane-1,3-diamine
CID 55098796
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
1-(3-chlorophenyl)-N'-[1-(dimethylamino)propan-2-yl]-N'-ethylpropane-1,3-diamine
CID 103191368

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of 1-(3-chlorophenyl)-N'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine (CID 62628937) is 1-(3-chlorophenyl)-N'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for 1-(3-chlorophenyl)-N'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine is CN(CCC(N)c1cccc(Cl)c1)c1ccccc1F.
What is the InChIKey of 1-(3-chlorophenyl)-N'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine?
The InChIKey is PKBPVMKBTQKOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2/c1-20(16-8-3-2-7-14(16)18)10-9-15(19)12-5-4-6-13(17)11-12/h2-8,11,15H,9-10,19H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-N'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine?
1-(3-chlorophenyl)-N'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine has a molecular weight of 292.79 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 62628937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).