(R)-cyclobutyl-(3-nitrophenyl)methanamine;hydrochloride

C11H15ClN2O2 — CID 171198021

IUPAC(R)-cyclobutyl-(3-nitrophenyl)methanamine;hydrochloride
SMILESCl.N[C@@H](c1cccc([N+](=O)[O-])c1)C1CCC1
InChIInChI=1S/C11H14N2O2.ClH/c12-11(8-3-1-4-8)9-5-2-6-10(7-9)13(14)15;/h2,5-8,11H,1,3-4,12H2;1H/t11-;/m1./s1
InChIKeyQXVMNFAPUSWISU-RFVHGSKJSA-N
MW242.71 g/mol
LogP2.82
Rot. Bonds3

About (R)-cyclobutyl-(3-nitrophenyl)methanamine;hydrochloride

(R)-cyclobutyl-(3-nitrophenyl)methanamine;hydrochloride (PubChem CID 171198021) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is (R)-cyclobutyl-(3-nitrophenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(R)-cyclobutyl-(3-nitrophenyl)methanamine;hydrochloride
PubChem CID171198021
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name(R)-cyclobutyl-(3-nitrophenyl)methanamine;hydrochloride
SMILESCl.N[C@@H](c1cccc([N+](=O)[O-])c1)C1CCC1
InChIInChI=1S/C11H14N2O2.ClH/c12-11(8-3-1-4-8)9-5-2-6-10(7-9)13(14)15;/h2,5-8,11H,1,3-4,12H2;1H/t11-;/m1./s1
InChIKeyQXVMNFAPUSWISU-RFVHGSKJSA-N
XLogP2.82
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 52.82
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'}

Analyze (R)-cyclobutyl-(3-nitrophenyl)methanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(S)-cyclobutyl-(3-nitrophenyl)methanamine
CID 131565332
(R)-cyclopentyl-(3-nitrophenyl)methanamine;hydrochloride
CID 171198023
(S)-cyclopentyl-(3-nitrophenyl)methanamine
CID 131494278
(R)-cyclopentyl-(3-nitrophenyl)methanamine
CID 130054477
(R)-(3-nitrophenyl)-piperidin-4-ylmethanamine
CID 171314060
1-(1-cyclobutylethyl)-3-nitrobenzene
CID 170732279
1-(3-nitrophenyl)ethanamine;hydrochloride
CID 23105088
2-cyclopentyl-2-(3-nitrophenyl)acetonitrile
CID 103193927
(R)-cyclobutyl-(3-propan-2-ylphenyl)methanamine;hydrochloride
CID 171211996
(S)-(3-bromophenyl)-cyclobutylmethanamine;hydrochloride
CID 171218741
1-cyclopentyl-N-[1-(3-nitrophenyl)ethyl]ethanamine
CID 55097157
(S)-cyclopentyl-(2-fluoro-5-nitrophenyl)methanamine;hydrochloride
CID 171225548

Frequently Asked Questions

What is the IUPAC name of (R)-cyclobutyl-(3-nitrophenyl)methanamine;hydrochloride?
The IUPAC name of (R)-cyclobutyl-(3-nitrophenyl)methanamine;hydrochloride (CID 171198021) is (R)-cyclobutyl-(3-nitrophenyl)methanamine;hydrochloride.
What is the SMILES notation for (R)-cyclobutyl-(3-nitrophenyl)methanamine;hydrochloride?
The canonical SMILES for (R)-cyclobutyl-(3-nitrophenyl)methanamine;hydrochloride is Cl.N[C@@H](c1cccc([N+](=O)[O-])c1)C1CCC1.
What is the InChIKey of (R)-cyclobutyl-(3-nitrophenyl)methanamine;hydrochloride?
The InChIKey is QXVMNFAPUSWISU-RFVHGSKJSA-N. The full InChI is InChI=1S/C11H14N2O2.ClH/c12-11(8-3-1-4-8)9-5-2-6-10(7-9)13(14)15;/h2,5-8,11H,1,3-4,12H2;1H/t11-;/m1./s1.
What are the key properties of (R)-cyclobutyl-(3-nitrophenyl)methanamine;hydrochloride?
(R)-cyclobutyl-(3-nitrophenyl)methanamine;hydrochloride has a molecular weight of 242.71 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-cyclobutyl-(3-nitrophenyl)methanamine;hydrochloride is sourced from PubChem (CID 171198021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).