4-(2-chloro-6-fluorophenyl)pentan-1-amine

C11H15ClFN — CID 83925264

IUPAC4-(2-chloro-6-fluorophenyl)pentan-1-amine
SMILESCC(CCCN)c1c(F)cccc1Cl
InChIInChI=1S/C11H15ClFN/c1-8(4-3-7-14)11-9(12)5-2-6-10(11)13/h2,5-6,8H,3-4,7,14H2,1H3
InChIKeyRNXSYFRMDJWPPB-UHFFFAOYSA-N
MW215.70 g/mol
LogP3.32
Rot. Bonds4

About 4-(2-chloro-6-fluorophenyl)pentan-1-amine

4-(2-chloro-6-fluorophenyl)pentan-1-amine (PubChem CID 83925264) has the molecular formula C11H15ClFN and a molecular weight of 215.70 g/mol. Its IUPAC name is 4-(2-chloro-6-fluorophenyl)pentan-1-amine.

Molecular Properties

Compound Name4-(2-chloro-6-fluorophenyl)pentan-1-amine
PubChem CID83925264
Molecular FormulaC11H15ClFN
Molecular Weight215.70 g/mol
Exact Mass215.09
IUPAC Name4-(2-chloro-6-fluorophenyl)pentan-1-amine
SMILESCC(CCCN)c1c(F)cccc1Cl
InChIInChI=1S/C11H15ClFN/c1-8(4-3-7-14)11-9(12)5-2-6-10(11)13/h2,5-6,8H,3-4,7,14H2,1H3
InChIKeyRNXSYFRMDJWPPB-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2,6-dichlorophenyl)pentan-1-amine
CID 83924946
(1S)-1-(2-chloro-6-fluorophenyl)butane-1,4-diamine;hydrochloride
CID 171219678
2-[1-(2-chloro-6-fluorophenyl)ethyl]propane-1,3-diamine
CID 83925233
1-(2-chloro-6-fluorophenyl)ethanamine
CID 53394777
(1S)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine
CID 131585694
(1S)-1-(2,6-dichlorophenyl)butane-1,4-diamine;hydrochloride
CID 171217426
3-(2-chloro-6-fluorophenyl)butan-2-amine
CID 126977015
(1R)-1-(2,6-dichlorophenyl)butane-1,4-diamine;hydrochloride
CID 171197917
(1R)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine;hydrochloride
CID 171200162
1-chloro-3-fluoro-2-[(Z)-hept-4-en-2-yl]benzene
CID 83925287
(1S)-1-(2-chloro-6-fluorophenyl)-2-fluoroethanamine
CID 124707714
3-(6-chloro-2,3-difluorophenyl)butan-1-amine
CID 130512226

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-fluorophenyl)pentan-1-amine?
The IUPAC name of 4-(2-chloro-6-fluorophenyl)pentan-1-amine (CID 83925264) is 4-(2-chloro-6-fluorophenyl)pentan-1-amine.
What is the SMILES notation for 4-(2-chloro-6-fluorophenyl)pentan-1-amine?
The canonical SMILES for 4-(2-chloro-6-fluorophenyl)pentan-1-amine is CC(CCCN)c1c(F)cccc1Cl.
What is the InChIKey of 4-(2-chloro-6-fluorophenyl)pentan-1-amine?
The InChIKey is RNXSYFRMDJWPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN/c1-8(4-3-7-14)11-9(12)5-2-6-10(11)13/h2,5-6,8H,3-4,7,14H2,1H3.
What are the key properties of 4-(2-chloro-6-fluorophenyl)pentan-1-amine?
4-(2-chloro-6-fluorophenyl)pentan-1-amine has a molecular weight of 215.70 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-fluorophenyl)pentan-1-amine is sourced from PubChem (CID 83925264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).