(S)-cyclopentyl-(2-fluoro-5-nitrophenyl)methanamine;hydrochloride

C12H16ClFN2O2 — CID 171225548

IUPAC(S)-cyclopentyl-(2-fluoro-5-nitrophenyl)methanamine;hydrochloride
SMILESCl.N[C@H](c1cc([N+](=O)[O-])ccc1F)C1CCCC1
InChIInChI=1S/C12H15FN2O2.ClH/c13-11-6-5-9(15(16)17)7-10(11)12(14)8-3-1-2-4-8;/h5-8,12H,1-4,14H2;1H/t12-;/m0./s1
InChIKeyVCKVDAZRCXOOEN-YDALLXLXSA-N
MW274.72 g/mol
LogP3.35
Rot. Bonds3

About (S)-cyclopentyl-(2-fluoro-5-nitrophenyl)methanamine;hydrochloride

(S)-cyclopentyl-(2-fluoro-5-nitrophenyl)methanamine;hydrochloride (PubChem CID 171225548) has the molecular formula C12H16ClFN2O2 and a molecular weight of 274.72 g/mol. Its IUPAC name is (S)-cyclopentyl-(2-fluoro-5-nitrophenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(S)-cyclopentyl-(2-fluoro-5-nitrophenyl)methanamine;hydrochloride
PubChem CID171225548
Molecular FormulaC12H16ClFN2O2
Molecular Weight274.72 g/mol
Exact Mass274.09
IUPAC Name(S)-cyclopentyl-(2-fluoro-5-nitrophenyl)methanamine;hydrochloride
SMILESCl.N[C@H](c1cc([N+](=O)[O-])ccc1F)C1CCCC1
InChIInChI=1S/C12H15FN2O2.ClH/c13-11-6-5-9(15(16)17)7-10(11)12(14)8-3-1-2-4-8;/h5-8,12H,1-4,14H2;1H/t12-;/m0./s1
InChIKeyVCKVDAZRCXOOEN-YDALLXLXSA-N
XLogP3.35
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.72
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1R)-2-cyclopropyl-1-(2-fluoro-5-nitrophenyl)ethanamine
CID 171205959
(R)-(5-chloro-2-fluorophenyl)-cyclohexylmethanamine;hydrochloride
CID 171202097
(R)-cyclopentyl-(3-nitrophenyl)methanamine;hydrochloride
CID 171198023
(S)-cyclopentyl-(2-fluoro-5-iodophenyl)methanamine
CID 131551788
2-[(S)-amino(cyclopentyl)methyl]-6-bromo-4-nitrophenol;hydrochloride
CID 171232917
(S)-cyclopentyl-(3-nitrophenyl)methanamine
CID 131494278
(R)-cyclopentyl-(3-nitrophenyl)methanamine
CID 130054477
(S)-cyclobutyl-(5-fluoro-2-nitrophenyl)methanamine;hydrochloride
CID 171225599
(R)-cyclobutyl-(4-fluoro-2-nitrophenyl)methanamine;hydrochloride
CID 171206077
(5-bromo-2-fluorophenyl)-cyclohexylmethanamine
CID 79742739
(R)-cyclobutyl-(2-fluoro-5-iodophenyl)methanamine;hydrochloride
CID 171216193
(1S)-2,2,2-trifluoro-1-(2-fluoro-5-nitrophenyl)ethanamine
CID 66511161

Frequently Asked Questions

What is the IUPAC name of (S)-cyclopentyl-(2-fluoro-5-nitrophenyl)methanamine;hydrochloride?
The IUPAC name of (S)-cyclopentyl-(2-fluoro-5-nitrophenyl)methanamine;hydrochloride (CID 171225548) is (S)-cyclopentyl-(2-fluoro-5-nitrophenyl)methanamine;hydrochloride.
What is the SMILES notation for (S)-cyclopentyl-(2-fluoro-5-nitrophenyl)methanamine;hydrochloride?
The canonical SMILES for (S)-cyclopentyl-(2-fluoro-5-nitrophenyl)methanamine;hydrochloride is Cl.N[C@H](c1cc([N+](=O)[O-])ccc1F)C1CCCC1.
What is the InChIKey of (S)-cyclopentyl-(2-fluoro-5-nitrophenyl)methanamine;hydrochloride?
The InChIKey is VCKVDAZRCXOOEN-YDALLXLXSA-N. The full InChI is InChI=1S/C12H15FN2O2.ClH/c13-11-6-5-9(15(16)17)7-10(11)12(14)8-3-1-2-4-8;/h5-8,12H,1-4,14H2;1H/t12-;/m0./s1.
What are the key properties of (S)-cyclopentyl-(2-fluoro-5-nitrophenyl)methanamine;hydrochloride?
(S)-cyclopentyl-(2-fluoro-5-nitrophenyl)methanamine;hydrochloride has a molecular weight of 274.72 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclopentyl-(2-fluoro-5-nitrophenyl)methanamine;hydrochloride is sourced from PubChem (CID 171225548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).