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

C13H18FN — CID 131545963

IUPAC(S)-cyclopentyl-(2-fluoro-4-methylphenyl)methanamine
SMILESCc1ccc([C@@H](N)C2CCCC2)c(F)c1
InChIInChI=1S/C13H18FN/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/t13-/m0/s1
InChIKeySSALJUSGHUHNKI-ZDUSSCGKSA-N
MW207.29 g/mol
LogP3.32
Rot. Bonds2

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

(S)-cyclopentyl-(2-fluoro-4-methylphenyl)methanamine (PubChem CID 131545963) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is (S)-cyclopentyl-(2-fluoro-4-methylphenyl)methanamine.

Molecular Properties

Compound Name(S)-cyclopentyl-(2-fluoro-4-methylphenyl)methanamine
PubChem CID131545963
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name(S)-cyclopentyl-(2-fluoro-4-methylphenyl)methanamine
SMILESCc1ccc([C@@H](N)C2CCCC2)c(F)c1
InChIInChI=1S/C13H18FN/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/t13-/m0/s1
InChIKeySSALJUSGHUHNKI-ZDUSSCGKSA-N
XLogP3.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cyclohexyl-(2-fluoro-4-methylphenyl)methanamine
CID 114981199
(S)-cyclopentyl-(2-fluoro-4-methylphenyl)methanamine;hydrochloride
CID 171221506
cyclobutyl-(2-fluoro-5-methylphenyl)methanamine
CID 64986676
(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
(R)-cyclobutyl-(2,4-dimethylphenyl)methanamine;hydrochloride
CID 171213154
(S)-(2-chloro-4-methylphenyl)-cyclobutylmethanamine
CID 99737681
cyclobutyl-(2-fluoro-4-methylphenyl)methanol
CID 115837888
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?
The IUPAC name of (S)-cyclopentyl-(2-fluoro-4-methylphenyl)methanamine (CID 131545963) is (S)-cyclopentyl-(2-fluoro-4-methylphenyl)methanamine.
What is the SMILES notation for (S)-cyclopentyl-(2-fluoro-4-methylphenyl)methanamine?
The canonical SMILES for (S)-cyclopentyl-(2-fluoro-4-methylphenyl)methanamine is Cc1ccc([C@@H](N)C2CCCC2)c(F)c1.
What is the InChIKey of (S)-cyclopentyl-(2-fluoro-4-methylphenyl)methanamine?
The InChIKey is SSALJUSGHUHNKI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H18FN/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/t13-/m0/s1.
What are the key properties of (S)-cyclopentyl-(2-fluoro-4-methylphenyl)methanamine?
(S)-cyclopentyl-(2-fluoro-4-methylphenyl)methanamine has a molecular weight of 207.29 g/mol, XLogP of 3.32, 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 is sourced from PubChem (CID 131545963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).