(R)-cyclopropyl-(2-nitrophenyl)methanamine;hydrochloride

C10H13ClN2O2 — CID 171198305

IUPAC(R)-cyclopropyl-(2-nitrophenyl)methanamine;hydrochloride
SMILESCl.N[C@@H](c1ccccc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C10H12N2O2.ClH/c11-10(7-5-6-7)8-3-1-2-4-9(8)12(13)14;/h1-4,7,10H,5-6,11H2;1H/t10-;/m1./s1
InChIKeyUXQZYQQUUTZWHB-HNCPQSOCSA-N
MW228.68 g/mol
LogP2.43
Rot. Bonds3

About (R)-cyclopropyl-(2-nitrophenyl)methanamine;hydrochloride

(R)-cyclopropyl-(2-nitrophenyl)methanamine;hydrochloride (PubChem CID 171198305) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is (R)-cyclopropyl-(2-nitrophenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(R)-cyclopropyl-(2-nitrophenyl)methanamine;hydrochloride
PubChem CID171198305
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name(R)-cyclopropyl-(2-nitrophenyl)methanamine;hydrochloride
SMILESCl.N[C@@H](c1ccccc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C10H12N2O2.ClH/c11-10(7-5-6-7)8-3-1-2-4-9(8)12(13)14;/h1-4,7,10H,5-6,11H2;1H/t10-;/m1./s1
InChIKeyUXQZYQQUUTZWHB-HNCPQSOCSA-N
XLogP2.43
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 52.43
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

(S)-cyclopropyl-(4-fluoro-2-nitrophenyl)methanamine;hydrochloride
CID 171225655
(R)-cyclobutyl-(4-fluoro-2-nitrophenyl)methanamine;hydrochloride
CID 171206077
(S)-cyclobutyl-(5-fluoro-2-nitrophenyl)methanamine;hydrochloride
CID 171225599
3-[(R)-amino(cyclobutyl)methyl]-4-nitrophenol;hydrochloride
CID 171206456
(R)-cyclopentyl-(2-nitrophenyl)methanol
CID 125472167
3-[(S)-amino(oxan-4-yl)methyl]-4-nitrophenol;hydrochloride
CID 171241780
(1S)-1-(2-nitrophenyl)propane-1,3-diamine;hydrochloride
CID 171217794
1-[(R)-cyclopropyl-(2-nitrophenyl)methyl]piperazine;dihydrochloride
CID 171285255
2-[(R)-amino(cyclopropyl)methyl]phenol;hydrochloride
CID 171200964
1-[(R)-cyclopropyl-(2-nitrophenyl)methyl]piperazine
CID 171285254
(S)-(5-fluoro-2-nitrophenyl)-(oxan-4-yl)methanamine
CID 171241629
(1R)-2,2-dimethyl-1-(2-nitrophenyl)propan-1-amine
CID 131529509

Frequently Asked Questions

What is the IUPAC name of (R)-cyclopropyl-(2-nitrophenyl)methanamine;hydrochloride?
The IUPAC name of (R)-cyclopropyl-(2-nitrophenyl)methanamine;hydrochloride (CID 171198305) is (R)-cyclopropyl-(2-nitrophenyl)methanamine;hydrochloride.
What is the SMILES notation for (R)-cyclopropyl-(2-nitrophenyl)methanamine;hydrochloride?
The canonical SMILES for (R)-cyclopropyl-(2-nitrophenyl)methanamine;hydrochloride is Cl.N[C@@H](c1ccccc1[N+](=O)[O-])C1CC1.
What is the InChIKey of (R)-cyclopropyl-(2-nitrophenyl)methanamine;hydrochloride?
The InChIKey is UXQZYQQUUTZWHB-HNCPQSOCSA-N. The full InChI is InChI=1S/C10H12N2O2.ClH/c11-10(7-5-6-7)8-3-1-2-4-9(8)12(13)14;/h1-4,7,10H,5-6,11H2;1H/t10-;/m1./s1.
What are the key properties of (R)-cyclopropyl-(2-nitrophenyl)methanamine;hydrochloride?
(R)-cyclopropyl-(2-nitrophenyl)methanamine;hydrochloride has a molecular weight of 228.68 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-cyclopropyl-(2-nitrophenyl)methanamine;hydrochloride is sourced from PubChem (CID 171198305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).