(S)-cyclopentyl-(2-fluoro-4-methylphenyl)methanamine;hydrochloride

C13H19ClFN — CID 171221506

IUPAC(S)-cyclopentyl-(2-fluoro-4-methylphenyl)methanamine;hydrochloride
SMILESCc1ccc([C@@H](N)C2CCCC2)c(F)c1.Cl
InChIInChI=1S/C13H18FN.ClH/c1-9-6-7-11(12(14)8-9)13(15)10-4-2-3-5-10;/h6-8,10,13H,2-5,15H2,1H3;1H/t13-;/m0./s1
InChIKeyVLIRXCZSDAJISH-ZOWNYOTGSA-N
MW243.75 g/mol
LogP3.75
Rot. Bonds2

About (S)-cyclopentyl-(2-fluoro-4-methylphenyl)methanamine;hydrochloride

(S)-cyclopentyl-(2-fluoro-4-methylphenyl)methanamine;hydrochloride (PubChem CID 171221506) has the molecular formula C13H19ClFN and a molecular weight of 243.75 g/mol. Its IUPAC name is (S)-cyclopentyl-(2-fluoro-4-methylphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(S)-cyclopentyl-(2-fluoro-4-methylphenyl)methanamine;hydrochloride
PubChem CID171221506
Molecular FormulaC13H19ClFN
Molecular Weight243.75 g/mol
Exact Mass243.12
IUPAC Name(S)-cyclopentyl-(2-fluoro-4-methylphenyl)methanamine;hydrochloride
SMILESCc1ccc([C@@H](N)C2CCCC2)c(F)c1.Cl
InChIInChI=1S/C13H18FN.ClH/c1-9-6-7-11(12(14)8-9)13(15)10-4-2-3-5-10;/h6-8,10,13H,2-5,15H2,1H3;1H/t13-;/m0./s1
InChIKeyVLIRXCZSDAJISH-ZOWNYOTGSA-N
XLogP3.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.75
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-cyclopentyl-(2-fluoro-4-methylphenyl)methanamine
CID 131545963
cyclohexyl-(2-fluoro-4-methylphenyl)methanamine
CID 114981199
cyclobutyl-(2-fluoro-5-methylphenyl)methanamine
CID 64986676
(R)-cyclobutyl-(2,4-dimethylphenyl)methanamine;hydrochloride
CID 171213154
(S)-(2-bromo-4-methylphenyl)-cyclopentylmethanamine
CID 171221683
cyclohexyl-(2-fluoro-4-methylphenyl)methanol
CID 115802084
(2-chloro-4-methylphenyl)-cycloheptylmethanamine
CID 106858433
(2-bromo-4-methylphenyl)-cyclohexylmethanamine
CID 114981605
cyclobutyl-(2-fluoro-4-methylphenyl)methanol
CID 115837888
(S)-(2-chloro-4-methylphenyl)-cyclobutylmethanamine
CID 99737681
cyclopentyl-(4-fluoro-2-methylphenyl)methanamine
CID 62790372
2-[(R)-amino(cyclobutyl)methyl]-5-methylphenol
CID 130606689

Frequently Asked Questions

What is the IUPAC name of (S)-cyclopentyl-(2-fluoro-4-methylphenyl)methanamine;hydrochloride?
The IUPAC name of (S)-cyclopentyl-(2-fluoro-4-methylphenyl)methanamine;hydrochloride (CID 171221506) is (S)-cyclopentyl-(2-fluoro-4-methylphenyl)methanamine;hydrochloride.
What is the SMILES notation for (S)-cyclopentyl-(2-fluoro-4-methylphenyl)methanamine;hydrochloride?
The canonical SMILES for (S)-cyclopentyl-(2-fluoro-4-methylphenyl)methanamine;hydrochloride is Cc1ccc([C@@H](N)C2CCCC2)c(F)c1.Cl.
What is the InChIKey of (S)-cyclopentyl-(2-fluoro-4-methylphenyl)methanamine;hydrochloride?
The InChIKey is VLIRXCZSDAJISH-ZOWNYOTGSA-N. The full InChI is InChI=1S/C13H18FN.ClH/c1-9-6-7-11(12(14)8-9)13(15)10-4-2-3-5-10;/h6-8,10,13H,2-5,15H2,1H3;1H/t13-;/m0./s1.
What are the key properties of (S)-cyclopentyl-(2-fluoro-4-methylphenyl)methanamine;hydrochloride?
(S)-cyclopentyl-(2-fluoro-4-methylphenyl)methanamine;hydrochloride has a molecular weight of 243.75 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclopentyl-(2-fluoro-4-methylphenyl)methanamine;hydrochloride is sourced from PubChem (CID 171221506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).