[1-(2-amino-5-chloroanilino)cyclohexyl]methanol

C13H19ClN2O — CID 115468903

IUPAC[1-(2-amino-5-chloroanilino)cyclohexyl]methanol
SMILESNc1ccc(Cl)cc1NC1(CO)CCCCC1
InChIInChI=1S/C13H19ClN2O/c14-10-4-5-11(15)12(8-10)16-13(9-17)6-2-1-3-7-13/h4-5,8,16-17H,1-3,6-7,9,15H2
InChIKeyNSYZWYLFPUCOMU-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.03
Rot. Bonds3

About [1-(2-amino-5-chloroanilino)cyclohexyl]methanol

[1-(2-amino-5-chloroanilino)cyclohexyl]methanol (PubChem CID 115468903) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is [1-(2-amino-5-chloroanilino)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(2-amino-5-chloroanilino)cyclohexyl]methanol
PubChem CID115468903
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name[1-(2-amino-5-chloroanilino)cyclohexyl]methanol
SMILESNc1ccc(Cl)cc1NC1(CO)CCCCC1
InChIInChI=1S/C13H19ClN2O/c14-10-4-5-11(15)12(8-10)16-13(9-17)6-2-1-3-7-13/h4-5,8,16-17H,1-3,6-7,9,15H2
InChIKeyNSYZWYLFPUCOMU-UHFFFAOYSA-N
XLogP3.03
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[1-(2-amino-4-chloro-5-fluoroanilino)cyclopentyl]methanol
CID 66076669
4-chloro-2-[[1-(hydroxymethyl)cyclopentyl]amino]benzonitrile
CID 63083467
[1-(3-chloroanilino)cyclohexyl]methanol
CID 61050342
[1-(3-chloroanilino)cyclooctyl]methanol
CID 63428436
[1-(2-amino-5-fluoro-4-iodoanilino)cyclopentyl]methanol
CID 66100703
[1-[2-amino-5-(difluoromethoxy)-4-fluoroanilino]cyclohexyl]methanol
CID 63591935
[1-(4-amino-2,6-dichloroanilino)cyclopentyl]methanol
CID 106890321
[1-(3-amino-2-methylanilino)cyclopentyl]methanol
CID 63062925
[1-[4-amino-3-(trifluoromethyl)anilino]cyclohexyl]methanol
CID 62552640
5-amino-2-[[1-(hydroxymethyl)cyclohexyl]amino]benzonitrile
CID 55087026
3-(2-amino-5-chloroanilino)propan-1-ol
CID 20506299
[1-[(8-aminoisoquinolin-5-yl)amino]cyclopentyl]methanol
CID 62523969

Frequently Asked Questions

What is the IUPAC name of [1-(2-amino-5-chloroanilino)cyclohexyl]methanol?
The IUPAC name of [1-(2-amino-5-chloroanilino)cyclohexyl]methanol (CID 115468903) is [1-(2-amino-5-chloroanilino)cyclohexyl]methanol.
What is the SMILES notation for [1-(2-amino-5-chloroanilino)cyclohexyl]methanol?
The canonical SMILES for [1-(2-amino-5-chloroanilino)cyclohexyl]methanol is Nc1ccc(Cl)cc1NC1(CO)CCCCC1.
What is the InChIKey of [1-(2-amino-5-chloroanilino)cyclohexyl]methanol?
The InChIKey is NSYZWYLFPUCOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c14-10-4-5-11(15)12(8-10)16-13(9-17)6-2-1-3-7-13/h4-5,8,16-17H,1-3,6-7,9,15H2.
What are the key properties of [1-(2-amino-5-chloroanilino)cyclohexyl]methanol?
[1-(2-amino-5-chloroanilino)cyclohexyl]methanol has a molecular weight of 254.76 g/mol, XLogP of 3.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-amino-5-chloroanilino)cyclohexyl]methanol is sourced from PubChem (CID 115468903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).