2-[(2-amino-4-chloro-5-fluoroanilino)methyl]cyclohexan-1-ol

C13H18ClFN2O — CID 66077083

IUPAC2-[(2-amino-4-chloro-5-fluoroanilino)methyl]cyclohexan-1-ol
SMILESNc1cc(Cl)c(F)cc1NCC1CCCCC1O
InChIInChI=1S/C13H18ClFN2O/c14-9-5-11(16)12(6-10(9)15)17-7-8-3-1-2-4-13(8)18/h5-6,8,13,17-18H,1-4,7,16H2
InChIKeyJTSLPSVCRBDHPE-UHFFFAOYSA-N
MW272.75 g/mol
LogP3.02
Rot. Bonds3

About 2-[(2-amino-4-chloro-5-fluoroanilino)methyl]cyclohexan-1-ol

2-[(2-amino-4-chloro-5-fluoroanilino)methyl]cyclohexan-1-ol (PubChem CID 66077083) has the molecular formula C13H18ClFN2O and a molecular weight of 272.75 g/mol. Its IUPAC name is 2-[(2-amino-4-chloro-5-fluoroanilino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(2-amino-4-chloro-5-fluoroanilino)methyl]cyclohexan-1-ol
PubChem CID66077083
Molecular FormulaC13H18ClFN2O
Molecular Weight272.75 g/mol
Exact Mass272.11
IUPAC Name2-[(2-amino-4-chloro-5-fluoroanilino)methyl]cyclohexan-1-ol
SMILESNc1cc(Cl)c(F)cc1NCC1CCCCC1O
InChIInChI=1S/C13H18ClFN2O/c14-9-5-11(16)12(6-10(9)15)17-7-8-3-1-2-4-13(8)18/h5-6,8,13,17-18H,1-4,7,16H2
InChIKeyJTSLPSVCRBDHPE-UHFFFAOYSA-N
XLogP3.02
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

2-(3-Chloro-4-fluoroanilino)-2-(2-hydroxycyclohexyl)acetonitrile
CID 90422914
3-(2-Amino-5-chloro-4-fluoroanilino)propan-1-ol
CID 105609806
2-[1-(3-Chloro-4-fluoroanilino)ethyl]cyclohexan-1-ol
CID 123608375
4-[[1-(3-Chloro-4-fluoroanilino)cyclohexyl]methylamino]cyclohexan-1-ol
CID 174386939
2-[(6-Amino-2,3-difluoroanilino)methyl]cyclohexan-1-ol
CID 64927048
2-[(2-Amino-4-fluoroanilino)methyl]cyclohexan-1-ol
CID 64927253
2-[(2-Amino-5-fluoroanilino)methyl]cyclohexan-1-ol
CID 64929617
2-[(2-Amino-3-fluoroanilino)methyl]cyclohexan-1-ol
CID 64929818
2-[(4-Chloro-5-fluoro-2-nitroanilino)methyl]cyclohexan-1-ol
CID 66076636
[2-[(4-Chloro-5-fluoro-2-nitroanilino)methyl]cyclopentyl]methanol
CID 66076640
[1-(2-Amino-4-chloro-5-fluoroanilino)cyclopentyl]methanol
CID 66076669
[1-(2-Amino-4-chloro-5-fluoroanilino)cyclohexyl]methanol
CID 66076671

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-chloro-5-fluoroanilino)methyl]cyclohexan-1-ol?
The IUPAC name of 2-[(2-amino-4-chloro-5-fluoroanilino)methyl]cyclohexan-1-ol (CID 66077083) is 2-[(2-amino-4-chloro-5-fluoroanilino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[(2-amino-4-chloro-5-fluoroanilino)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[(2-amino-4-chloro-5-fluoroanilino)methyl]cyclohexan-1-ol is Nc1cc(Cl)c(F)cc1NCC1CCCCC1O.
What is the InChIKey of 2-[(2-amino-4-chloro-5-fluoroanilino)methyl]cyclohexan-1-ol?
The InChIKey is JTSLPSVCRBDHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O/c14-9-5-11(16)12(6-10(9)15)17-7-8-3-1-2-4-13(8)18/h5-6,8,13,17-18H,1-4,7,16H2.
What are the key properties of 2-[(2-amino-4-chloro-5-fluoroanilino)methyl]cyclohexan-1-ol?
2-[(2-amino-4-chloro-5-fluoroanilino)methyl]cyclohexan-1-ol has a molecular weight of 272.75 g/mol, XLogP of 3.02, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-chloro-5-fluoroanilino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 66077083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).