(S)-(4-chloro-2,6-difluorophenyl)-cyclopentylmethanamine

C12H14ClF2N — CID 131484031

IUPAC(S)-(4-chloro-2,6-difluorophenyl)-cyclopentylmethanamine
SMILESN[C@H](c1c(F)cc(Cl)cc1F)C1CCCC1
InChIInChI=1S/C12H14ClF2N/c13-8-5-9(14)11(10(15)6-8)12(16)7-3-1-2-4-7/h5-7,12H,1-4,16H2/t12-/m0/s1
InChIKeyCDGZZYIMDPDKDK-LBPRGKRZSA-N
MW245.70 g/mol
LogP3.81
Rot. Bonds2

About (S)-(4-chloro-2,6-difluorophenyl)-cyclopentylmethanamine

(S)-(4-chloro-2,6-difluorophenyl)-cyclopentylmethanamine (PubChem CID 131484031) has the molecular formula C12H14ClF2N and a molecular weight of 245.70 g/mol. Its IUPAC name is (S)-(4-chloro-2,6-difluorophenyl)-cyclopentylmethanamine.

Molecular Properties

Compound Name(S)-(4-chloro-2,6-difluorophenyl)-cyclopentylmethanamine
PubChem CID131484031
Molecular FormulaC12H14ClF2N
Molecular Weight245.70 g/mol
Exact Mass245.08
IUPAC Name(S)-(4-chloro-2,6-difluorophenyl)-cyclopentylmethanamine
SMILESN[C@H](c1c(F)cc(Cl)cc1F)C1CCCC1
InChIInChI=1S/C12H14ClF2N/c13-8-5-9(14)11(10(15)6-8)12(16)7-3-1-2-4-7/h5-7,12H,1-4,16H2/t12-/m0/s1
InChIKeyCDGZZYIMDPDKDK-LBPRGKRZSA-N
XLogP3.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.70
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-(4-chloro-2,6-difluorophenyl)-cyclopropylmethanamine;hydrochloride
CID 171230540
(S)-cyclohexyl-(2,4,6-trifluorophenyl)methanamine
CID 28501633
(1S,2R)-2-amino-2-(4-chloro-2,6-difluorophenyl)-1-cyclopentylethanol;hydrochloride
CID 171264372
(R)-(4-bromo-2,6-difluorophenyl)-cyclohexylmethanamine;hydrochloride
CID 171206717
2-[(S)-amino(cyclohexyl)methyl]-4-chloro-6-fluorophenol
CID 171255942
(S)-cyclohexyl-(2,3,5,6-tetrafluorophenyl)methanamine
CID 171230086
cycloheptyl-(2,6-difluorophenyl)methanamine
CID 65399556
(R)-(5-chloro-2-fluorophenyl)-cyclohexylmethanamine;hydrochloride
CID 171202097
(R)-(2-chloro-6-fluoro-3-methylphenyl)-cyclopentylmethanamine
CID 171209698
(R)-cyclohexyl-(2,6-difluorophenyl)methanamine;hydrochloride
CID 171204110
cyclohexyl-(3,5-dichlorophenyl)methanamine
CID 114981427
(3-chloro-4-fluorophenyl)-cyclohexylmethanamine
CID 63093302

Frequently Asked Questions

What is the IUPAC name of (S)-(4-chloro-2,6-difluorophenyl)-cyclopentylmethanamine?
The IUPAC name of (S)-(4-chloro-2,6-difluorophenyl)-cyclopentylmethanamine (CID 131484031) is (S)-(4-chloro-2,6-difluorophenyl)-cyclopentylmethanamine.
What is the SMILES notation for (S)-(4-chloro-2,6-difluorophenyl)-cyclopentylmethanamine?
The canonical SMILES for (S)-(4-chloro-2,6-difluorophenyl)-cyclopentylmethanamine is N[C@H](c1c(F)cc(Cl)cc1F)C1CCCC1.
What is the InChIKey of (S)-(4-chloro-2,6-difluorophenyl)-cyclopentylmethanamine?
The InChIKey is CDGZZYIMDPDKDK-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H14ClF2N/c13-8-5-9(14)11(10(15)6-8)12(16)7-3-1-2-4-7/h5-7,12H,1-4,16H2/t12-/m0/s1.
What are the key properties of (S)-(4-chloro-2,6-difluorophenyl)-cyclopentylmethanamine?
(S)-(4-chloro-2,6-difluorophenyl)-cyclopentylmethanamine has a molecular weight of 245.70 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(4-chloro-2,6-difluorophenyl)-cyclopentylmethanamine is sourced from PubChem (CID 131484031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).