(S)-cyclopropyl-(4-fluoro-2-nitrophenyl)methanamine;hydrochloride

C10H12ClFN2O2 — CID 171225655

IUPAC(S)-cyclopropyl-(4-fluoro-2-nitrophenyl)methanamine;hydrochloride
SMILESCl.N[C@H](c1ccc(F)cc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C10H11FN2O2.ClH/c11-7-3-4-8(9(5-7)13(14)15)10(12)6-1-2-6;/h3-6,10H,1-2,12H2;1H/t10-;/m0./s1
InChIKeyRYGWXWNDYLWPLB-PPHPATTJSA-N
MW246.67 g/mol
LogP2.57
Rot. Bonds3

About (S)-cyclopropyl-(4-fluoro-2-nitrophenyl)methanamine;hydrochloride

(S)-cyclopropyl-(4-fluoro-2-nitrophenyl)methanamine;hydrochloride (PubChem CID 171225655) has the molecular formula C10H12ClFN2O2 and a molecular weight of 246.67 g/mol. Its IUPAC name is (S)-cyclopropyl-(4-fluoro-2-nitrophenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(S)-cyclopropyl-(4-fluoro-2-nitrophenyl)methanamine;hydrochloride
PubChem CID171225655
Molecular FormulaC10H12ClFN2O2
Molecular Weight246.67 g/mol
Exact Mass246.06
IUPAC Name(S)-cyclopropyl-(4-fluoro-2-nitrophenyl)methanamine;hydrochloride
SMILESCl.N[C@H](c1ccc(F)cc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C10H11FN2O2.ClH/c11-7-3-4-8(9(5-7)13(14)15)10(12)6-1-2-6;/h3-6,10H,1-2,12H2;1H/t10-;/m0./s1
InChIKeyRYGWXWNDYLWPLB-PPHPATTJSA-N
XLogP2.57
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.67
LogP ≤ 52.57
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

(R)-cyclobutyl-(4-fluoro-2-nitrophenyl)methanamine;hydrochloride
CID 171206077
(S)-cyclobutyl-(5-fluoro-2-nitrophenyl)methanamine;hydrochloride
CID 171225599
(S)-(5-fluoro-2-nitrophenyl)-(oxan-4-yl)methanamine
CID 171241629
(R)-cyclopropyl-(2-nitrophenyl)methanamine;hydrochloride
CID 171198305
(1R,2S)-2-amino-1-cyclopentyl-2-(4-fluoro-2-nitrophenyl)ethanol
CID 171268414
(1R,2S)-2-amino-1-cyclohexyl-2-(4-fluoro-2-nitrophenyl)ethanol
CID 171268416
(1R)-1-(4-fluoro-2-nitrophenyl)propan-1-amine
CID 131159061
2-[(S)-amino(cyclohexyl)methyl]-4-fluoro-6-nitrophenol
CID 171255475
(1S)-3-fluoro-1-(4-fluoro-2-nitrophenyl)propan-1-amine
CID 171225652
(R)-(2-bromo-4-fluorophenyl)-cyclopropylmethanamine
CID 97290671
2-[(R)-amino(cyclopropyl)methyl]-5-fluorobenzoic acid
CID 131869097
(S)-cyclopropyl-(4-fluoro-2-methoxyphenyl)methanamine;hydrochloride
CID 171224902

Frequently Asked Questions

What is the IUPAC name of (S)-cyclopropyl-(4-fluoro-2-nitrophenyl)methanamine;hydrochloride?
The IUPAC name of (S)-cyclopropyl-(4-fluoro-2-nitrophenyl)methanamine;hydrochloride (CID 171225655) is (S)-cyclopropyl-(4-fluoro-2-nitrophenyl)methanamine;hydrochloride.
What is the SMILES notation for (S)-cyclopropyl-(4-fluoro-2-nitrophenyl)methanamine;hydrochloride?
The canonical SMILES for (S)-cyclopropyl-(4-fluoro-2-nitrophenyl)methanamine;hydrochloride is Cl.N[C@H](c1ccc(F)cc1[N+](=O)[O-])C1CC1.
What is the InChIKey of (S)-cyclopropyl-(4-fluoro-2-nitrophenyl)methanamine;hydrochloride?
The InChIKey is RYGWXWNDYLWPLB-PPHPATTJSA-N. The full InChI is InChI=1S/C10H11FN2O2.ClH/c11-7-3-4-8(9(5-7)13(14)15)10(12)6-1-2-6;/h3-6,10H,1-2,12H2;1H/t10-;/m0./s1.
What are the key properties of (S)-cyclopropyl-(4-fluoro-2-nitrophenyl)methanamine;hydrochloride?
(S)-cyclopropyl-(4-fluoro-2-nitrophenyl)methanamine;hydrochloride has a molecular weight of 246.67 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclopropyl-(4-fluoro-2-nitrophenyl)methanamine;hydrochloride is sourced from PubChem (CID 171225655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).