2-[(4-chloro-2-nitrophenyl)methyl]bicyclo[2.2.1]heptan-2-amine

C14H17ClN2O2 — CID 65020282

IUPAC2-[(4-chloro-2-nitrophenyl)methyl]bicyclo[2.2.1]heptan-2-amine
SMILESNC1(Cc2ccc(Cl)cc2[N+](=O)[O-])CC2CCC1C2
InChIInChI=1S/C14H17ClN2O2/c15-12-4-2-10(13(6-12)17(18)19)8-14(16)7-9-1-3-11(14)5-9/h2,4,6,9,11H,1,3,5,7-8,16H2
InChIKeyXULLULPUZIKYER-UHFFFAOYSA-N
MW280.75 g/mol
LogP3.31
Rot. Bonds3

About 2-[(4-chloro-2-nitrophenyl)methyl]bicyclo[2.2.1]heptan-2-amine

2-[(4-chloro-2-nitrophenyl)methyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 65020282) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 2-[(4-chloro-2-nitrophenyl)methyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name2-[(4-chloro-2-nitrophenyl)methyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID65020282
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name2-[(4-chloro-2-nitrophenyl)methyl]bicyclo[2.2.1]heptan-2-amine
SMILESNC1(Cc2ccc(Cl)cc2[N+](=O)[O-])CC2CCC1C2
InChIInChI=1S/C14H17ClN2O2/c15-12-4-2-10(13(6-12)17(18)19)8-14(16)7-9-1-3-11(14)5-9/h2,4,6,9,11H,1,3,5,7-8,16H2
InChIKeyXULLULPUZIKYER-UHFFFAOYSA-N
XLogP3.31
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 53.31
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

[1-[(4-chloro-2-nitrophenyl)methyl]-3-methylcyclohexyl]methanamine
CID 65393422
1-[(4-chloro-2-nitrophenyl)methyl]-2,3-dihydroinden-1-amine
CID 65406091
1-[(4-chloro-2-nitrophenyl)methyl]-3-ethylcyclopentane-1-carbonitrile
CID 65413296
1-[(4-chloro-2-nitrophenyl)methyl]cyclopentane-1-carbonitrile
CID 65379317
1-[(4-chloro-2-nitrophenyl)methyl]-3-ethylcyclohexane-1-carbonitrile
CID 65402670
1-[(4-chloro-2-nitrophenyl)methyl]cycloheptane-1-carbonitrile
CID 65389724
2-[(4-chloro-2-nitrophenyl)methyl]cyclopentan-1-amine
CID 55035798
N-[(4-chloro-2-nitrophenyl)methyl]-2,2-dimethylcyclopropan-1-amine
CID 62100451
2-(4-chloro-2-nitrophenyl)-1-cyclopentylethanamine
CID 112570226
2-(4-chloro-2-nitrophenyl)-1-cyclopropylethanol
CID 63353057
3-[(5-chloro-2-nitrophenyl)methyl]-2-methyloxolan-3-amine
CID 114535393
3-[(4-chloro-2-nitrophenyl)methoxy]cyclohexan-1-amine
CID 79464860

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-nitrophenyl)methyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 2-[(4-chloro-2-nitrophenyl)methyl]bicyclo[2.2.1]heptan-2-amine (CID 65020282) is 2-[(4-chloro-2-nitrophenyl)methyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 2-[(4-chloro-2-nitrophenyl)methyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 2-[(4-chloro-2-nitrophenyl)methyl]bicyclo[2.2.1]heptan-2-amine is NC1(Cc2ccc(Cl)cc2[N+](=O)[O-])CC2CCC1C2.
What is the InChIKey of 2-[(4-chloro-2-nitrophenyl)methyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is XULLULPUZIKYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c15-12-4-2-10(13(6-12)17(18)19)8-14(16)7-9-1-3-11(14)5-9/h2,4,6,9,11H,1,3,5,7-8,16H2.
What are the key properties of 2-[(4-chloro-2-nitrophenyl)methyl]bicyclo[2.2.1]heptan-2-amine?
2-[(4-chloro-2-nitrophenyl)methyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 280.75 g/mol, XLogP of 3.31, 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]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 65020282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).