2-(2-chloro-4-fluorophenyl)pentan-3-amine

C11H15ClFN — CID 79308367

IUPAC2-(2-chloro-4-fluorophenyl)pentan-3-amine
SMILESCCC(N)C(C)c1ccc(F)cc1Cl
InChIInChI=1S/C11H15ClFN/c1-3-11(14)7(2)9-5-4-8(13)6-10(9)12/h4-7,11H,3,14H2,1-2H3
InChIKeyMJNDXHZKKYXQNK-UHFFFAOYSA-N
MW215.70 g/mol
LogP3.32
Rot. Bonds3

About 2-(2-chloro-4-fluorophenyl)pentan-3-amine

2-(2-chloro-4-fluorophenyl)pentan-3-amine (PubChem CID 79308367) has the molecular formula C11H15ClFN and a molecular weight of 215.70 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)pentan-3-amine.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)pentan-3-amine
PubChem CID79308367
Molecular FormulaC11H15ClFN
Molecular Weight215.70 g/mol
Exact Mass215.09
IUPAC Name2-(2-chloro-4-fluorophenyl)pentan-3-amine
SMILESCCC(N)C(C)c1ccc(F)cc1Cl
InChIInChI=1S/C11H15ClFN/c1-3-11(14)7(2)9-5-4-8(13)6-10(9)12/h4-7,11H,3,14H2,1-2H3
InChIKeyMJNDXHZKKYXQNK-UHFFFAOYSA-N
XLogP3.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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

1-(2-chloro-4-fluorophenyl)ethanamine
CID 18542888
(1S,2R)-1-amino-1-(2-chloro-4-fluorophenyl)butan-2-ol
CID 131038068
(2-chloro-4-fluorophenyl)-(2-chlorophenyl)methanamine
CID 62945856
1-(2-chloro-4-fluorophenyl)-3-methylbutan-1-amine
CID 62945198
(1S,2R)-1-amino-1-(2-chloro-4-fluorophenyl)butan-2-ol;hydrochloride
CID 171161362
2-(2-chloro-4-fluorophenyl)propan-1-amine
CID 66438470
1-(2-chloro-5-fluorophenyl)-2-ethylbutan-1-amine
CID 105397485
(1S)-1-(2-chloro-4-fluorophenyl)hexan-1-amine
CID 171223780
1-(2-chloro-4-fluorophenyl)ethane-1,2-diamine
CID 55270283
2-amino-3-(2,4-difluorophenyl)butan-1-ol
CID 83908387
(2-chloro-4-fluorophenyl)-(2,4,6-trifluorophenyl)methanamine
CID 43198689
(2-chloro-4-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344688

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)pentan-3-amine?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)pentan-3-amine (CID 79308367) is 2-(2-chloro-4-fluorophenyl)pentan-3-amine.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)pentan-3-amine?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)pentan-3-amine is CCC(N)C(C)c1ccc(F)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)pentan-3-amine?
The InChIKey is MJNDXHZKKYXQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN/c1-3-11(14)7(2)9-5-4-8(13)6-10(9)12/h4-7,11H,3,14H2,1-2H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)pentan-3-amine?
2-(2-chloro-4-fluorophenyl)pentan-3-amine has a molecular weight of 215.70 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)pentan-3-amine is sourced from PubChem (CID 79308367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).