[1-[(2-chloro-5-nitrophenyl)methylamino]cyclohexyl]methanol

C14H19ClN2O3 — CID 62521499

IUPAC[1-[(2-chloro-5-nitrophenyl)methylamino]cyclohexyl]methanol
SMILESO=[N+]([O-])c1ccc(Cl)c(CNC2(CO)CCCCC2)c1
InChIInChI=1S/C14H19ClN2O3/c15-13-5-4-12(17(19)20)8-11(13)9-16-14(10-18)6-2-1-3-7-14/h4-5,8,16,18H,1-3,6-7,9-10H2
InChIKeyDFXLMPLAMNFHDU-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.03
Rot. Bonds5

About [1-[(2-chloro-5-nitrophenyl)methylamino]cyclohexyl]methanol

[1-[(2-chloro-5-nitrophenyl)methylamino]cyclohexyl]methanol (PubChem CID 62521499) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is [1-[(2-chloro-5-nitrophenyl)methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(2-chloro-5-nitrophenyl)methylamino]cyclohexyl]methanol
PubChem CID62521499
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name[1-[(2-chloro-5-nitrophenyl)methylamino]cyclohexyl]methanol
SMILESO=[N+]([O-])c1ccc(Cl)c(CNC2(CO)CCCCC2)c1
InChIInChI=1S/C14H19ClN2O3/c15-13-5-4-12(17(19)20)8-11(13)9-16-14(10-18)6-2-1-3-7-14/h4-5,8,16,18H,1-3,6-7,9-10H2
InChIKeyDFXLMPLAMNFHDU-UHFFFAOYSA-N
XLogP3.03
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.03
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'}

Analyze [1-[(2-chloro-5-nitrophenyl)methylamino]cyclohexyl]methanol 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

[1-[(3-nitrophenyl)methylamino]cyclopentyl]methanol
CID 62524809
N-[(2-chloro-5-nitrophenyl)methyl]-4-methyloxan-4-amine
CID 115758109
[1-[(2-nitrophenyl)methylamino]cyclopentyl]methanol
CID 62524980
N-[(2-chloro-5-nitrophenyl)methyl]cyclobutanamine
CID 62415324
[1-(4-nitroanilino)cyclohexyl]methanol
CID 62520982
(1R)-N-[(2-chloro-5-nitrophenyl)methyl]-1-cyclohexylethanamine
CID 81384193
[1-[(4-bromo-2-chlorophenyl)methylamino]cyclopentyl]methanol
CID 115683768
2-[(2-chloro-5-nitrophenyl)methylamino]propan-1-ol
CID 43499430
[4-[[(2-chloro-5-nitrophenyl)methylamino]methyl]phenyl]methanol
CID 107229990
[1-[(2-methyl-3-nitrophenyl)methylamino]cyclopentyl]methanol
CID 62517939
1-[[2-(2-chloro-4-nitrophenyl)acetyl]amino]cycloheptane-1-carboxylic acid
CID 120539039
[1-(4-nitroanilino)cyclopentyl]methanol
CID 59683301

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chloro-5-nitrophenyl)methylamino]cyclohexyl]methanol?
The IUPAC name of [1-[(2-chloro-5-nitrophenyl)methylamino]cyclohexyl]methanol (CID 62521499) is [1-[(2-chloro-5-nitrophenyl)methylamino]cyclohexyl]methanol.
What is the SMILES notation for [1-[(2-chloro-5-nitrophenyl)methylamino]cyclohexyl]methanol?
The canonical SMILES for [1-[(2-chloro-5-nitrophenyl)methylamino]cyclohexyl]methanol is O=[N+]([O-])c1ccc(Cl)c(CNC2(CO)CCCCC2)c1.
What is the InChIKey of [1-[(2-chloro-5-nitrophenyl)methylamino]cyclohexyl]methanol?
The InChIKey is DFXLMPLAMNFHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c15-13-5-4-12(17(19)20)8-11(13)9-16-14(10-18)6-2-1-3-7-14/h4-5,8,16,18H,1-3,6-7,9-10H2.
What are the key properties of [1-[(2-chloro-5-nitrophenyl)methylamino]cyclohexyl]methanol?
[1-[(2-chloro-5-nitrophenyl)methylamino]cyclohexyl]methanol has a molecular weight of 298.77 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chloro-5-nitrophenyl)methylamino]cyclohexyl]methanol is sourced from PubChem (CID 62521499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).