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

C10H11ClN2O2 — CID 66026879

IUPAC1-[(2-chloro-4-nitrophenyl)methyl]cyclopropan-1-amine
SMILESNC1(Cc2ccc([N+](=O)[O-])cc2Cl)CC1
InChIInChI=1S/C10H11ClN2O2/c11-9-5-8(13(14)15)2-1-7(9)6-10(12)3-4-10/h1-2,5H,3-4,6,12H2
InChIKeyHBRDXZGXLZZESL-UHFFFAOYSA-N
MW226.66 g/mol
LogP2.28
Rot. Bonds3

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

1-[(2-chloro-4-nitrophenyl)methyl]cyclopropan-1-amine (PubChem CID 66026879) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 1-[(2-chloro-4-nitrophenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(2-chloro-4-nitrophenyl)methyl]cyclopropan-1-amine
PubChem CID66026879
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name1-[(2-chloro-4-nitrophenyl)methyl]cyclopropan-1-amine
SMILESNC1(Cc2ccc([N+](=O)[O-])cc2Cl)CC1
InChIInChI=1S/C10H11ClN2O2/c11-9-5-8(13(14)15)2-1-7(9)6-10(12)3-4-10/h1-2,5H,3-4,6,12H2
InChIKeyHBRDXZGXLZZESL-UHFFFAOYSA-N
XLogP2.28
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 52.28
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-[(2-chloro-4-nitrophenyl)methyl]cyclooctane-1-carbonitrile
CID 80609889
1-[(2-bromo-4-nitrophenyl)methyl]cyclobutan-1-amine
CID 65196727
4-[(2,4-dinitrophenyl)methyl]oxan-4-amine
CID 66222657
1-[5-[(2-chloro-4-nitrophenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851713
2-[(2-chloro-4-nitrophenyl)methoxy]ethanamine
CID 62343808
N-[(1-aminocyclopropyl)methyl]-2-chloro-4-nitrobenzenesulfonamide
CID 171678631
2-(2-chloro-4-nitrophenyl)ethanethioic S-acid
CID 91621429
1-[[2-(2-chloro-4-nitrophenyl)acetyl]amino]cyclopropane-1-carboxylic acid
CID 120530534
[1-[[(2-chloro-4-nitrophenyl)methylamino]methyl]cyclopropyl]methanol
CID 115454769
1-(2-chloro-4-nitrophenyl)-3-methylbutan-2-amine
CID 63196953
1-[(2-methoxy-5-nitrophenyl)methyl]cyclohexan-1-amine
CID 65020246
1-(2-chloro-4-nitrophenyl)-N-methoxymethanamine
CID 64973951

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-nitrophenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(2-chloro-4-nitrophenyl)methyl]cyclopropan-1-amine (CID 66026879) is 1-[(2-chloro-4-nitrophenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(2-chloro-4-nitrophenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(2-chloro-4-nitrophenyl)methyl]cyclopropan-1-amine is NC1(Cc2ccc([N+](=O)[O-])cc2Cl)CC1.
What is the InChIKey of 1-[(2-chloro-4-nitrophenyl)methyl]cyclopropan-1-amine?
The InChIKey is HBRDXZGXLZZESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c11-9-5-8(13(14)15)2-1-7(9)6-10(12)3-4-10/h1-2,5H,3-4,6,12H2.
What are the key properties of 1-[(2-chloro-4-nitrophenyl)methyl]cyclopropan-1-amine?
1-[(2-chloro-4-nitrophenyl)methyl]cyclopropan-1-amine has a molecular weight of 226.66 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-nitrophenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 66026879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).