5-[(R)-amino(cyclopentyl)methyl]-2-fluorobenzonitrile;hydrochloride

C13H16ClFN2 — CID 171210982

IUPAC5-[(R)-amino(cyclopentyl)methyl]-2-fluorobenzonitrile;hydrochloride
SMILESCl.N#Cc1cc([C@H](N)C2CCCC2)ccc1F
InChIInChI=1S/C13H15FN2.ClH/c14-12-6-5-10(7-11(12)8-15)13(16)9-3-1-2-4-9;/h5-7,9,13H,1-4,16H2;1H/t13-;/m1./s1
InChIKeyCGUBUCMLBYIYSL-BTQNPOSSSA-N
MW254.74 g/mol
LogP3.31
Rot. Bonds2

About 5-[(R)-amino(cyclopentyl)methyl]-2-fluorobenzonitrile;hydrochloride

5-[(R)-amino(cyclopentyl)methyl]-2-fluorobenzonitrile;hydrochloride (PubChem CID 171210982) has the molecular formula C13H16ClFN2 and a molecular weight of 254.74 g/mol. Its IUPAC name is 5-[(R)-amino(cyclopentyl)methyl]-2-fluorobenzonitrile;hydrochloride.

Molecular Properties

Compound Name5-[(R)-amino(cyclopentyl)methyl]-2-fluorobenzonitrile;hydrochloride
PubChem CID171210982
Molecular FormulaC13H16ClFN2
Molecular Weight254.74 g/mol
Exact Mass254.10
IUPAC Name5-[(R)-amino(cyclopentyl)methyl]-2-fluorobenzonitrile;hydrochloride
SMILESCl.N#Cc1cc([C@H](N)C2CCCC2)ccc1F
InChIInChI=1S/C13H15FN2.ClH/c14-12-6-5-10(7-11(12)8-15)13(16)9-3-1-2-4-9;/h5-7,9,13H,1-4,16H2;1H/t13-;/m1./s1
InChIKeyCGUBUCMLBYIYSL-BTQNPOSSSA-N
XLogP3.31
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-cyclopropyl-(3,4-difluorophenyl)methanamine;hydrochloride
CID 171229648
(R)-(4-bromo-3-fluorophenyl)-cyclopentylmethanamine;hydrochloride
CID 171201791
(S)-cyclohexyl-(4-fluoro-3-methylphenyl)methanamine
CID 39244944
(3-chloro-4-fluorophenyl)-cyclohexylmethanamine
CID 63093302
(S)-cyclopentyl-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 171222169
(S)-(4-bromo-3-fluorophenyl)-cyclohexylmethanamine;hydrochloride
CID 171221330
(R)-(3-bromo-4-fluorophenyl)-cyclobutylmethanamine
CID 130054470
cycloheptyl-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 105027734
(R)-(4-chloro-3-fluorophenyl)-cyclobutylmethanamine;hydrochloride
CID 171209453
cyclohexyl-(4-fluoro-3-methoxyphenyl)methanamine
CID 83824510
5-[(1S)-1,2-diaminoethyl]-2-fluorobenzonitrile
CID 55265325
5-(1-amino-2-oxopropyl)-2-fluorobenzonitrile
CID 55296121

Frequently Asked Questions

What is the IUPAC name of 5-[(R)-amino(cyclopentyl)methyl]-2-fluorobenzonitrile;hydrochloride?
The IUPAC name of 5-[(R)-amino(cyclopentyl)methyl]-2-fluorobenzonitrile;hydrochloride (CID 171210982) is 5-[(R)-amino(cyclopentyl)methyl]-2-fluorobenzonitrile;hydrochloride.
What is the SMILES notation for 5-[(R)-amino(cyclopentyl)methyl]-2-fluorobenzonitrile;hydrochloride?
The canonical SMILES for 5-[(R)-amino(cyclopentyl)methyl]-2-fluorobenzonitrile;hydrochloride is Cl.N#Cc1cc([C@H](N)C2CCCC2)ccc1F.
What is the InChIKey of 5-[(R)-amino(cyclopentyl)methyl]-2-fluorobenzonitrile;hydrochloride?
The InChIKey is CGUBUCMLBYIYSL-BTQNPOSSSA-N. The full InChI is InChI=1S/C13H15FN2.ClH/c14-12-6-5-10(7-11(12)8-15)13(16)9-3-1-2-4-9;/h5-7,9,13H,1-4,16H2;1H/t13-;/m1./s1.
What are the key properties of 5-[(R)-amino(cyclopentyl)methyl]-2-fluorobenzonitrile;hydrochloride?
5-[(R)-amino(cyclopentyl)methyl]-2-fluorobenzonitrile;hydrochloride has a molecular weight of 254.74 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(R)-amino(cyclopentyl)methyl]-2-fluorobenzonitrile;hydrochloride is sourced from PubChem (CID 171210982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).