(S)-cyclopentyl-(3-fluoro-2-methoxyphenyl)methanamine

C13H18FNO — CID 131440306

IUPAC(S)-cyclopentyl-(3-fluoro-2-methoxyphenyl)methanamine
SMILESCOc1c(F)cccc1[C@@H](N)C1CCCC1
InChIInChI=1S/C13H18FNO/c1-16-13-10(7-4-8-11(13)14)12(15)9-5-2-3-6-9/h4,7-9,12H,2-3,5-6,15H2,1H3/t12-/m0/s1
InChIKeyBKKHLEYGADEGQC-LBPRGKRZSA-N
MW223.29 g/mol
LogP3.02
Rot. Bonds3

About (S)-cyclopentyl-(3-fluoro-2-methoxyphenyl)methanamine

(S)-cyclopentyl-(3-fluoro-2-methoxyphenyl)methanamine (PubChem CID 131440306) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is (S)-cyclopentyl-(3-fluoro-2-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(S)-cyclopentyl-(3-fluoro-2-methoxyphenyl)methanamine
PubChem CID131440306
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name(S)-cyclopentyl-(3-fluoro-2-methoxyphenyl)methanamine
SMILESCOc1c(F)cccc1[C@@H](N)C1CCCC1
InChIInChI=1S/C13H18FNO/c1-16-13-10(7-4-8-11(13)14)12(15)9-5-2-3-6-9/h4,7-9,12H,2-3,5-6,15H2,1H3/t12-/m0/s1
InChIKeyBKKHLEYGADEGQC-LBPRGKRZSA-N
XLogP3.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-cyclopropyl-(3-fluoro-2-methoxyphenyl)methanamine
CID 131184271
(R)-cyclopropyl-(3-fluoro-2-methoxyphenyl)methanamine;hydrochloride
CID 171201747
(3-fluoro-2-methoxyphenyl)-(oxan-4-yl)methanamine
CID 83824709
(1S,2R)-2-amino-1-cyclopentyl-2-(3-fluoro-2-methoxyphenyl)ethanol;hydrochloride
CID 171261508
(S)-cyclopentyl-(2,3-dimethoxyphenyl)methanamine;hydrochloride
CID 171218788
(S)-cyclobutyl-(2,3-dimethoxyphenyl)methanamine;hydrochloride
CID 171218784
(R)-(2-bromo-3-fluorophenyl)-cyclopentylmethanamine
CID 131483839
(2-bromo-3-fluorophenyl)-cyclopentylmethanamine
CID 112631047
(R)-cyclopentyl-(2-methoxyphenyl)methanamine;hydrochloride
CID 171200457
(S)-cyclohexyl-(2,3,4-trimethoxyphenyl)methanamine
CID 171219387
1-[(R)-cyclopentyl-(3-fluoro-2-methoxyphenyl)methyl]piperazine
CID 171168899
(S)-cyclopentyl-[3-fluoro-2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171231037

Frequently Asked Questions

What is the IUPAC name of (S)-cyclopentyl-(3-fluoro-2-methoxyphenyl)methanamine?
The IUPAC name of (S)-cyclopentyl-(3-fluoro-2-methoxyphenyl)methanamine (CID 131440306) is (S)-cyclopentyl-(3-fluoro-2-methoxyphenyl)methanamine.
What is the SMILES notation for (S)-cyclopentyl-(3-fluoro-2-methoxyphenyl)methanamine?
The canonical SMILES for (S)-cyclopentyl-(3-fluoro-2-methoxyphenyl)methanamine is COc1c(F)cccc1[C@@H](N)C1CCCC1.
What is the InChIKey of (S)-cyclopentyl-(3-fluoro-2-methoxyphenyl)methanamine?
The InChIKey is BKKHLEYGADEGQC-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18FNO/c1-16-13-10(7-4-8-11(13)14)12(15)9-5-2-3-6-9/h4,7-9,12H,2-3,5-6,15H2,1H3/t12-/m0/s1.
What are the key properties of (S)-cyclopentyl-(3-fluoro-2-methoxyphenyl)methanamine?
(S)-cyclopentyl-(3-fluoro-2-methoxyphenyl)methanamine has a molecular weight of 223.29 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclopentyl-(3-fluoro-2-methoxyphenyl)methanamine is sourced from PubChem (CID 131440306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).