(R)-(3-chloro-2-fluorophenyl)-cyclopentylmethanamine;hydrochloride

C12H16Cl2FN — CID 171209319

IUPAC(R)-(3-chloro-2-fluorophenyl)-cyclopentylmethanamine;hydrochloride
SMILESCl.N[C@@H](c1cccc(Cl)c1F)C1CCCC1
InChIInChI=1S/C12H15ClFN.ClH/c13-10-7-3-6-9(11(10)14)12(15)8-4-1-2-5-8;/h3,6-8,12H,1-2,4-5,15H2;1H/t12-;/m1./s1
InChIKeyRTJIBRGAGSYNGW-UTONKHPSSA-N
MW264.17 g/mol
LogP4.09
Rot. Bonds2

About (R)-(3-chloro-2-fluorophenyl)-cyclopentylmethanamine;hydrochloride

(R)-(3-chloro-2-fluorophenyl)-cyclopentylmethanamine;hydrochloride (PubChem CID 171209319) has the molecular formula C12H16Cl2FN and a molecular weight of 264.17 g/mol. Its IUPAC name is (R)-(3-chloro-2-fluorophenyl)-cyclopentylmethanamine;hydrochloride.

Molecular Properties

Compound Name(R)-(3-chloro-2-fluorophenyl)-cyclopentylmethanamine;hydrochloride
PubChem CID171209319
Molecular FormulaC12H16Cl2FN
Molecular Weight264.17 g/mol
Exact Mass263.06
IUPAC Name(R)-(3-chloro-2-fluorophenyl)-cyclopentylmethanamine;hydrochloride
SMILESCl.N[C@@H](c1cccc(Cl)c1F)C1CCCC1
InChIInChI=1S/C12H15ClFN.ClH/c13-10-7-3-6-9(11(10)14)12(15)8-4-1-2-5-8;/h3,6-8,12H,1-2,4-5,15H2;1H/t12-;/m1./s1
InChIKeyRTJIBRGAGSYNGW-UTONKHPSSA-N
XLogP4.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.17
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-(3-chloro-2-fluorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171249497
(R)-(3-chloro-2-fluorophenyl)-(oxan-4-yl)methanamine
CID 131479406
(R)-(3-chloro-2-fluorophenyl)-piperidin-4-ylmethanamine
CID 171314499
(R)-(2-chlorophenyl)-cyclopentylmethanamine
CID 91256846
cyclobutyl-(2-fluoro-3-methylphenyl)methanamine
CID 112630963
(S)-cyclopentyl-[2-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 171227390
(1R,2S)-2-amino-2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol;hydrochloride
CID 171161264
(R)-cyclopentyl-(2,6-dichlorophenyl)methanamine
CID 171197935
(3-bromo-2-fluorophenyl)-cyclobutylmethanamine
CID 103693583
(R)-cyclopentyl-(2,3,4-trifluorophenyl)methanamine;hydrochloride
CID 171205794
cyclopropyl-(2,3-dichlorophenyl)methanamine
CID 62789310
(S)-cyclohexyl-(3,6-dichloro-2-fluorophenyl)methanamine
CID 171235278

Frequently Asked Questions

What is the IUPAC name of (R)-(3-chloro-2-fluorophenyl)-cyclopentylmethanamine;hydrochloride?
The IUPAC name of (R)-(3-chloro-2-fluorophenyl)-cyclopentylmethanamine;hydrochloride (CID 171209319) is (R)-(3-chloro-2-fluorophenyl)-cyclopentylmethanamine;hydrochloride.
What is the SMILES notation for (R)-(3-chloro-2-fluorophenyl)-cyclopentylmethanamine;hydrochloride?
The canonical SMILES for (R)-(3-chloro-2-fluorophenyl)-cyclopentylmethanamine;hydrochloride is Cl.N[C@@H](c1cccc(Cl)c1F)C1CCCC1.
What is the InChIKey of (R)-(3-chloro-2-fluorophenyl)-cyclopentylmethanamine;hydrochloride?
The InChIKey is RTJIBRGAGSYNGW-UTONKHPSSA-N. The full InChI is InChI=1S/C12H15ClFN.ClH/c13-10-7-3-6-9(11(10)14)12(15)8-4-1-2-5-8;/h3,6-8,12H,1-2,4-5,15H2;1H/t12-;/m1./s1.
What are the key properties of (R)-(3-chloro-2-fluorophenyl)-cyclopentylmethanamine;hydrochloride?
(R)-(3-chloro-2-fluorophenyl)-cyclopentylmethanamine;hydrochloride has a molecular weight of 264.17 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(3-chloro-2-fluorophenyl)-cyclopentylmethanamine;hydrochloride is sourced from PubChem (CID 171209319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).