(R)-(4-bromo-3-nitrophenyl)-cyclopropylmethanamine;hydrochloride

C10H12BrClN2O2 — CID 171206245

IUPAC(R)-(4-bromo-3-nitrophenyl)-cyclopropylmethanamine;hydrochloride
SMILESCl.N[C@@H](c1ccc(Br)c([N+](=O)[O-])c1)C1CC1
InChIInChI=1S/C10H11BrN2O2.ClH/c11-8-4-3-7(5-9(8)13(14)15)10(12)6-1-2-6;/h3-6,10H,1-2,12H2;1H/t10-;/m1./s1
InChIKeyPOXRWIDLUUCAHL-HNCPQSOCSA-N
MW307.58 g/mol
LogP3.19
Rot. Bonds3

About (R)-(4-bromo-3-nitrophenyl)-cyclopropylmethanamine;hydrochloride

(R)-(4-bromo-3-nitrophenyl)-cyclopropylmethanamine;hydrochloride (PubChem CID 171206245) has the molecular formula C10H12BrClN2O2 and a molecular weight of 307.58 g/mol. Its IUPAC name is (R)-(4-bromo-3-nitrophenyl)-cyclopropylmethanamine;hydrochloride.

Molecular Properties

Compound Name(R)-(4-bromo-3-nitrophenyl)-cyclopropylmethanamine;hydrochloride
PubChem CID171206245
Molecular FormulaC10H12BrClN2O2
Molecular Weight307.58 g/mol
Exact Mass305.98
IUPAC Name(R)-(4-bromo-3-nitrophenyl)-cyclopropylmethanamine;hydrochloride
SMILESCl.N[C@@H](c1ccc(Br)c([N+](=O)[O-])c1)C1CC1
InChIInChI=1S/C10H11BrN2O2.ClH/c11-8-4-3-7(5-9(8)13(14)15)10(12)6-1-2-6;/h3-6,10H,1-2,12H2;1H/t10-;/m1./s1
InChIKeyPOXRWIDLUUCAHL-HNCPQSOCSA-N
XLogP3.19
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.58
LogP ≤ 53.19
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)-(4-bromo-3-nitrophenyl)-cyclopentylmethanamine
CID 171225820
(S)-cyclopropyl-(4-methyl-3-nitrophenyl)methanamine;hydrochloride
CID 171226525
4-[(S)-amino(cyclopropyl)methyl]-2-nitrophenol;hydrochloride
CID 171219479
(1R,2S)-2-amino-2-(4-bromo-3-nitrophenyl)-1-cyclobutylethanol;hydrochloride
CID 171268494
(1R,2S)-2-amino-2-(4-bromo-3-nitrophenyl)-1-cyclopentylethanol;hydrochloride
CID 171268496
(1R)-1-(4-bromo-3-nitrophenyl)propane-1,3-diamine;hydrochloride
CID 171206218
(R)-(4-chloro-3-nitrophenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314399
2-amino-2-(4-bromo-3-nitrophenyl)acetonitrile
CID 130060051
(1R)-1-(4-bromo-3-nitrophenyl)pentan-1-amine;hydrochloride
CID 171206231
1-(4-bromo-3-nitrophenyl)ethanol
CID 25170823
(4S)-4-amino-4-(4-bromo-3-nitrophenyl)butan-1-ol
CID 171225842
(3-bromophenyl)-cyclopropylmethanamine;hydrochloride
CID 166600425

Frequently Asked Questions

What is the IUPAC name of (R)-(4-bromo-3-nitrophenyl)-cyclopropylmethanamine;hydrochloride?
The IUPAC name of (R)-(4-bromo-3-nitrophenyl)-cyclopropylmethanamine;hydrochloride (CID 171206245) is (R)-(4-bromo-3-nitrophenyl)-cyclopropylmethanamine;hydrochloride.
What is the SMILES notation for (R)-(4-bromo-3-nitrophenyl)-cyclopropylmethanamine;hydrochloride?
The canonical SMILES for (R)-(4-bromo-3-nitrophenyl)-cyclopropylmethanamine;hydrochloride is Cl.N[C@@H](c1ccc(Br)c([N+](=O)[O-])c1)C1CC1.
What is the InChIKey of (R)-(4-bromo-3-nitrophenyl)-cyclopropylmethanamine;hydrochloride?
The InChIKey is POXRWIDLUUCAHL-HNCPQSOCSA-N. The full InChI is InChI=1S/C10H11BrN2O2.ClH/c11-8-4-3-7(5-9(8)13(14)15)10(12)6-1-2-6;/h3-6,10H,1-2,12H2;1H/t10-;/m1./s1.
What are the key properties of (R)-(4-bromo-3-nitrophenyl)-cyclopropylmethanamine;hydrochloride?
(R)-(4-bromo-3-nitrophenyl)-cyclopropylmethanamine;hydrochloride has a molecular weight of 307.58 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(4-bromo-3-nitrophenyl)-cyclopropylmethanamine;hydrochloride is sourced from PubChem (CID 171206245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).