1-(3-chloro-2-fluorophenyl)pentan-1-amine

C11H15ClFN — CID 64713451

IUPAC1-(3-chloro-2-fluorophenyl)pentan-1-amine
SMILESCCCCC(N)c1cccc(Cl)c1F
InChIInChI=1S/C11H15ClFN/c1-2-3-7-10(14)8-5-4-6-9(12)11(8)13/h4-6,10H,2-3,7,14H2,1H3
InChIKeyKTSCOPBFPSPCCK-UHFFFAOYSA-N
MW215.70 g/mol
LogP3.67
Rot. Bonds4

About 1-(3-chloro-2-fluorophenyl)pentan-1-amine

1-(3-chloro-2-fluorophenyl)pentan-1-amine (PubChem CID 64713451) has the molecular formula C11H15ClFN and a molecular weight of 215.70 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)pentan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)pentan-1-amine
PubChem CID64713451
Molecular FormulaC11H15ClFN
Molecular Weight215.70 g/mol
Exact Mass215.09
IUPAC Name1-(3-chloro-2-fluorophenyl)pentan-1-amine
SMILESCCCCC(N)c1cccc(Cl)c1F
InChIInChI=1S/C11H15ClFN/c1-2-3-7-10(14)8-5-4-6-9(12)11(8)13/h4-6,10H,2-3,7,14H2,1H3
InChIKeyKTSCOPBFPSPCCK-UHFFFAOYSA-N
XLogP3.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.70
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(3-chloro-2-fluorophenyl)butane-1,4-diamine
CID 171209299
(1R)-1-(2,3-dichlorophenyl)pentan-1-amine
CID 171204538
(1S)-1-(3-chloro-2-fluorophenyl)-3-fluoropropan-1-amine
CID 131258362
(1S)-1-(3-chloro-2-fluorophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171228917
1-(3-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine
CID 64713656
(1S)-1-[2-fluoro-3-(trifluoromethyl)phenyl]pentan-1-amine
CID 171227373
(1S)-1-(3-chloro-2-fluorophenyl)-4,4,4-trifluorobutan-1-amine
CID 171228901
(1S)-1-[2-fluoro-3-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride
CID 171227374
1-(2,3-dichlorophenyl)undecan-1-amine
CID 115846022
(1S)-1-(2-chloro-3-fluorophenyl)hexan-1-amine
CID 171222601
2-[(1S)-1-aminohexyl]-6-chlorophenol
CID 171224317
1-(3-chloro-2-methylphenyl)decan-1-amine
CID 107102158

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)pentan-1-amine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)pentan-1-amine (CID 64713451) is 1-(3-chloro-2-fluorophenyl)pentan-1-amine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)pentan-1-amine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)pentan-1-amine is CCCCC(N)c1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)pentan-1-amine?
The InChIKey is KTSCOPBFPSPCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN/c1-2-3-7-10(14)8-5-4-6-9(12)11(8)13/h4-6,10H,2-3,7,14H2,1H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)pentan-1-amine?
1-(3-chloro-2-fluorophenyl)pentan-1-amine has a molecular weight of 215.70 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)pentan-1-amine is sourced from PubChem (CID 64713451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).