(1R)-N-[(4-bromo-2-nitrophenyl)methyl]-1-cyclopentylethanamine

C14H19BrN2O2 — CID 104916362

IUPAC(1R)-N-[(4-bromo-2-nitrophenyl)methyl]-1-cyclopentylethanamine
SMILESC[C@@H](NCc1ccc(Br)cc1[N+](=O)[O-])C1CCCC1
InChIInChI=1S/C14H19BrN2O2/c1-10(11-4-2-3-5-11)16-9-12-6-7-13(15)8-14(12)17(18)19/h6-8,10-11,16H,2-5,9H2,1H3/t10-/m1/s1
InChIKeyOBGTWVKFDFCUPH-SNVBAGLBSA-N
MW327.22 g/mol
LogP4.03
Rot. Bonds5

About (1R)-N-[(4-bromo-2-nitrophenyl)methyl]-1-cyclopentylethanamine

(1R)-N-[(4-bromo-2-nitrophenyl)methyl]-1-cyclopentylethanamine (PubChem CID 104916362) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is (1R)-N-[(4-bromo-2-nitrophenyl)methyl]-1-cyclopentylethanamine.

Molecular Properties

Compound Name(1R)-N-[(4-bromo-2-nitrophenyl)methyl]-1-cyclopentylethanamine
PubChem CID104916362
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name(1R)-N-[(4-bromo-2-nitrophenyl)methyl]-1-cyclopentylethanamine
SMILESC[C@@H](NCc1ccc(Br)cc1[N+](=O)[O-])C1CCCC1
InChIInChI=1S/C14H19BrN2O2/c1-10(11-4-2-3-5-11)16-9-12-6-7-13(15)8-14(12)17(18)19/h6-8,10-11,16H,2-5,9H2,1H3/t10-/m1/s1
InChIKeyOBGTWVKFDFCUPH-SNVBAGLBSA-N
XLogP4.03
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 54.03
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 (1R)-N-[(4-bromo-2-nitrophenyl)methyl]-1-cyclopentylethanamine 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

(1R)-N-[(4-chloro-2-nitrophenyl)methyl]-1-cyclohexylethanamine
CID 81384533
(1R)-1-cyclohexyl-N-[(2-nitrophenyl)methyl]ethanamine
CID 81384906
(1S)-1-cyclopentyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine
CID 107349341
2-[(4-bromo-2-nitrophenyl)methylamino]-N-propan-2-ylpropanamide
CID 114381496
(1S)-N-[(4-bromo-2-chlorophenyl)methyl]-1-cyclohexylethanamine
CID 104862320
1-cyclohexyl-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
CID 62406103
(1R)-1-cyclohexyl-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
CID 81385412
N-[(4-bromo-2-nitrophenyl)methyl]-1-phenylethanamine
CID 114380935
(1S)-N-[(4-bromo-2-nitrophenyl)methyl]-1-phenylethanamine
CID 104916334
N-[(4-bromo-2-nitrophenyl)methyl]-4-methylpent-1-yn-3-amine
CID 114202039
N-[(4-bromo-2-nitrophenyl)methyl]-2-cyclopentylethanamine
CID 114381112
3-(4-bromo-2-nitrophenyl)-2-cyclopentylpropanoic acid
CID 114382169

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(4-bromo-2-nitrophenyl)methyl]-1-cyclopentylethanamine?
The IUPAC name of (1R)-N-[(4-bromo-2-nitrophenyl)methyl]-1-cyclopentylethanamine (CID 104916362) is (1R)-N-[(4-bromo-2-nitrophenyl)methyl]-1-cyclopentylethanamine.
What is the SMILES notation for (1R)-N-[(4-bromo-2-nitrophenyl)methyl]-1-cyclopentylethanamine?
The canonical SMILES for (1R)-N-[(4-bromo-2-nitrophenyl)methyl]-1-cyclopentylethanamine is C[C@@H](NCc1ccc(Br)cc1[N+](=O)[O-])C1CCCC1.
What is the InChIKey of (1R)-N-[(4-bromo-2-nitrophenyl)methyl]-1-cyclopentylethanamine?
The InChIKey is OBGTWVKFDFCUPH-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-10(11-4-2-3-5-11)16-9-12-6-7-13(15)8-14(12)17(18)19/h6-8,10-11,16H,2-5,9H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-N-[(4-bromo-2-nitrophenyl)methyl]-1-cyclopentylethanamine?
(1R)-N-[(4-bromo-2-nitrophenyl)methyl]-1-cyclopentylethanamine has a molecular weight of 327.22 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(4-bromo-2-nitrophenyl)methyl]-1-cyclopentylethanamine is sourced from PubChem (CID 104916362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).