2-[(4-chloro-2-nitrophenyl)methyl]cyclopentan-1-amine

C12H15ClN2O2 — CID 55035798

IUPAC2-[(4-chloro-2-nitrophenyl)methyl]cyclopentan-1-amine
SMILESNC1CCCC1Cc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C12H15ClN2O2/c13-10-5-4-9(12(7-10)15(16)17)6-8-2-1-3-11(8)14/h4-5,7-8,11H,1-3,6,14H2
InChIKeyKSVWFVILQCJHQU-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.92
Rot. Bonds3

About 2-[(4-chloro-2-nitrophenyl)methyl]cyclopentan-1-amine

2-[(4-chloro-2-nitrophenyl)methyl]cyclopentan-1-amine (PubChem CID 55035798) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 2-[(4-chloro-2-nitrophenyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-[(4-chloro-2-nitrophenyl)methyl]cyclopentan-1-amine
PubChem CID55035798
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name2-[(4-chloro-2-nitrophenyl)methyl]cyclopentan-1-amine
SMILESNC1CCCC1Cc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C12H15ClN2O2/c13-10-5-4-9(12(7-10)15(16)17)6-8-2-1-3-11(8)14/h4-5,7-8,11H,1-3,6,14H2
InChIKeyKSVWFVILQCJHQU-UHFFFAOYSA-N
XLogP2.92
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.92
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

2-[(4-bromo-2-nitrophenyl)methyl]cycloheptan-1-amine
CID 114381996
3-[(4-chloro-2-nitrophenyl)methoxy]cyclohexan-1-amine
CID 79464860
2-(4-chloro-2-nitrophenyl)-1-cyclopentylethanamine
CID 112570226
2-[(4-chloro-2-nitrophenyl)methyl-cyclobutylamino]ethanol
CID 102677159
1-[(4-chloro-2-nitrophenyl)methyl]piperidin-3-amine
CID 55035894
1-[(4-chloro-2-nitrophenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103577236
3-[(4-chloro-2-nitrophenyl)methoxy]propan-1-amine
CID 62344232
2-(4-chloro-2-nitrophenyl)-1-cyclopropylethanol
CID 63353057
2-[2-(2-nitrophenyl)ethyl]cyclopentan-1-amine
CID 63061613
N-[(4-chloro-2-nitrophenyl)methyl]-2-methylcyclohexan-1-amine
CID 62102230
N-(2-aminocyclohexyl)-4-chloro-2-nitrobenzenesulfonamide
CID 61037370
2-[(3-nitrophenyl)methyl]cyclopentan-1-amine
CID 61381561

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-nitrophenyl)methyl]cyclopentan-1-amine?
The IUPAC name of 2-[(4-chloro-2-nitrophenyl)methyl]cyclopentan-1-amine (CID 55035798) is 2-[(4-chloro-2-nitrophenyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 2-[(4-chloro-2-nitrophenyl)methyl]cyclopentan-1-amine?
The canonical SMILES for 2-[(4-chloro-2-nitrophenyl)methyl]cyclopentan-1-amine is NC1CCCC1Cc1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 2-[(4-chloro-2-nitrophenyl)methyl]cyclopentan-1-amine?
The InChIKey is KSVWFVILQCJHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c13-10-5-4-9(12(7-10)15(16)17)6-8-2-1-3-11(8)14/h4-5,7-8,11H,1-3,6,14H2.
What are the key properties of 2-[(4-chloro-2-nitrophenyl)methyl]cyclopentan-1-amine?
2-[(4-chloro-2-nitrophenyl)methyl]cyclopentan-1-amine has a molecular weight of 254.72 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-nitrophenyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 55035798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).