[1-[[(2-chloro-6-nitrophenyl)methylamino]methyl]cyclopropyl]methanol

C12H15ClN2O3 — CID 113313226

IUPAC[1-[[(2-chloro-6-nitrophenyl)methylamino]methyl]cyclopropyl]methanol
SMILESO=[N+]([O-])c1cccc(Cl)c1CNCC1(CO)CC1
InChIInChI=1S/C12H15ClN2O3/c13-10-2-1-3-11(15(17)18)9(10)6-14-7-12(8-16)4-5-12/h1-3,14,16H,4-8H2
InChIKeyJZKBCANJVPSUKI-UHFFFAOYSA-N
MW270.72 g/mol
LogP2.11
Rot. Bonds6

About [1-[[(2-chloro-6-nitrophenyl)methylamino]methyl]cyclopropyl]methanol

[1-[[(2-chloro-6-nitrophenyl)methylamino]methyl]cyclopropyl]methanol (PubChem CID 113313226) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is [1-[[(2-chloro-6-nitrophenyl)methylamino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[(2-chloro-6-nitrophenyl)methylamino]methyl]cyclopropyl]methanol
PubChem CID113313226
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name[1-[[(2-chloro-6-nitrophenyl)methylamino]methyl]cyclopropyl]methanol
SMILESO=[N+]([O-])c1cccc(Cl)c1CNCC1(CO)CC1
InChIInChI=1S/C12H15ClN2O3/c13-10-2-1-3-11(15(17)18)9(10)6-14-7-12(8-16)4-5-12/h1-3,14,16H,4-8H2
InChIKeyJZKBCANJVPSUKI-UHFFFAOYSA-N
XLogP2.11
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-6-nitrophenyl)methylamino]methyl]cyclopentan-1-ol
CID 65111747
[1-[[(2,6-dichlorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 113293557
1-(2-chloro-6-nitrophenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80722454
N-[(2-chloro-6-nitrophenyl)methyl]ethanamine
CID 63745777
[1-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanol
CID 103965941
[1-[[(4-chloro-3-nitrophenyl)methylamino]methyl]cyclopropyl]methanol
CID 79479604
1-(2-chloro-6-nitrophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine
CID 107163551
[1-[[(5-chloro-2-nitrophenyl)methylamino]methyl]cyclopropyl]methanol
CID 79479404
N-[(2-chloro-6-nitrophenyl)methyl]-1-cyclobutylmethanamine
CID 63746985
N-[(2-chloro-6-nitrophenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 63746130
[1-[[(2-chloro-4-nitrophenyl)methylamino]methyl]cyclopropyl]methanol
CID 115454769
(2-chloro-6-nitrophenyl)methylhydrazine
CID 63746619

Frequently Asked Questions

What is the IUPAC name of [1-[[(2-chloro-6-nitrophenyl)methylamino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[(2-chloro-6-nitrophenyl)methylamino]methyl]cyclopropyl]methanol (CID 113313226) is [1-[[(2-chloro-6-nitrophenyl)methylamino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[(2-chloro-6-nitrophenyl)methylamino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[(2-chloro-6-nitrophenyl)methylamino]methyl]cyclopropyl]methanol is O=[N+]([O-])c1cccc(Cl)c1CNCC1(CO)CC1.
What is the InChIKey of [1-[[(2-chloro-6-nitrophenyl)methylamino]methyl]cyclopropyl]methanol?
The InChIKey is JZKBCANJVPSUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c13-10-2-1-3-11(15(17)18)9(10)6-14-7-12(8-16)4-5-12/h1-3,14,16H,4-8H2.
What are the key properties of [1-[[(2-chloro-6-nitrophenyl)methylamino]methyl]cyclopropyl]methanol?
[1-[[(2-chloro-6-nitrophenyl)methylamino]methyl]cyclopropyl]methanol has a molecular weight of 270.72 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(2-chloro-6-nitrophenyl)methylamino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 113313226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).