1-(3-chloro-2-fluorophenyl)-N-propylpentan-1-amine

C14H21ClFN — CID 64714891

IUPAC1-(3-chloro-2-fluorophenyl)-N-propylpentan-1-amine
SMILESCCCCC(NCCC)c1cccc(Cl)c1F
InChIInChI=1S/C14H21ClFN/c1-3-5-9-13(17-10-4-2)11-7-6-8-12(15)14(11)16/h6-8,13,17H,3-5,9-10H2,1-2H3
InChIKeyKCYNFZWWNFQZEU-UHFFFAOYSA-N
MW257.78 g/mol
LogP4.71
Rot. Bonds7

About 1-(3-chloro-2-fluorophenyl)-N-propylpentan-1-amine

1-(3-chloro-2-fluorophenyl)-N-propylpentan-1-amine (PubChem CID 64714891) has the molecular formula C14H21ClFN and a molecular weight of 257.78 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-N-propylpentan-1-amine
PubChem CID64714891
Molecular FormulaC14H21ClFN
Molecular Weight257.78 g/mol
Exact Mass257.13
IUPAC Name1-(3-chloro-2-fluorophenyl)-N-propylpentan-1-amine
SMILESCCCCC(NCCC)c1cccc(Cl)c1F
InChIInChI=1S/C14H21ClFN/c1-3-5-9-13(17-10-4-2)11-7-6-8-12(15)14(11)16/h6-8,13,17H,3-5,9-10H2,1-2H3
InChIKeyKCYNFZWWNFQZEU-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.78
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-2-fluorophenyl)-N-propylpentan-1-amine
CID 106645856
1-(2,3-difluorophenyl)-N-propylnonan-1-amine
CID 115835811
1-(2,3-dichlorophenyl)-N-propylnonan-1-amine
CID 115835415
1-(2-fluoro-3-methylphenyl)-N-propyloctan-1-amine
CID 115832334
N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine
CID 79411869
1-(2,6-dichlorophenyl)-N-propylnonan-1-amine
CID 115835319
1-(3-bromo-2-chlorophenyl)-N-propylpentan-1-amine
CID 115832972
1-(3-chloro-2-fluorophenyl)pentan-1-amine
CID 64713451
N-[1-(3-chloro-2-fluorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 83176143
1-(4-chloro-2,5-difluorophenyl)-N-propylpentan-1-amine
CID 115833076
1-(3-chloro-2-fluorophenyl)-2-methyl-N-propylbutan-1-amine
CID 79444566
1-(2,3-dimethylphenyl)-N-propylpentan-1-amine
CID 79412672

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-N-propylpentan-1-amine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-N-propylpentan-1-amine (CID 64714891) is 1-(3-chloro-2-fluorophenyl)-N-propylpentan-1-amine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-N-propylpentan-1-amine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-N-propylpentan-1-amine is CCCCC(NCCC)c1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-N-propylpentan-1-amine?
The InChIKey is KCYNFZWWNFQZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClFN/c1-3-5-9-13(17-10-4-2)11-7-6-8-12(15)14(11)16/h6-8,13,17H,3-5,9-10H2,1-2H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-N-propylpentan-1-amine?
1-(3-chloro-2-fluorophenyl)-N-propylpentan-1-amine has a molecular weight of 257.78 g/mol, XLogP of 4.71, 7 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)-N-propylpentan-1-amine is sourced from PubChem (CID 64714891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).