[2-[(2-amino-4-chloro-5-fluoroanilino)methyl]cyclohexyl]methanol

C14H20ClFN2O — CID 66077092

IUPAC[2-[(2-amino-4-chloro-5-fluoroanilino)methyl]cyclohexyl]methanol
SMILESNc1cc(Cl)c(F)cc1NCC1CCCCC1CO
InChIInChI=1S/C14H20ClFN2O/c15-11-5-13(17)14(6-12(11)16)18-7-9-3-1-2-4-10(9)8-19/h5-6,9-10,18-19H,1-4,7-8,17H2
InChIKeyUXVQEPAIVPLQPR-UHFFFAOYSA-N
MW286.78 g/mol
LogP3.27
Rot. Bonds4

About [2-[(2-amino-4-chloro-5-fluoroanilino)methyl]cyclohexyl]methanol

[2-[(2-amino-4-chloro-5-fluoroanilino)methyl]cyclohexyl]methanol (PubChem CID 66077092) has the molecular formula C14H20ClFN2O and a molecular weight of 286.78 g/mol. Its IUPAC name is [2-[(2-amino-4-chloro-5-fluoroanilino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[(2-amino-4-chloro-5-fluoroanilino)methyl]cyclohexyl]methanol
PubChem CID66077092
Molecular FormulaC14H20ClFN2O
Molecular Weight286.78 g/mol
Exact Mass286.12
IUPAC Name[2-[(2-amino-4-chloro-5-fluoroanilino)methyl]cyclohexyl]methanol
SMILESNc1cc(Cl)c(F)cc1NCC1CCCCC1CO
InChIInChI=1S/C14H20ClFN2O/c15-11-5-13(17)14(6-12(11)16)18-7-9-3-1-2-4-10(9)8-19/h5-6,9-10,18-19H,1-4,7-8,17H2
InChIKeyUXVQEPAIVPLQPR-UHFFFAOYSA-N
XLogP3.27
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-amino-4-chloro-5-fluoroanilino)methyl]cyclohexyl]methanol?
The IUPAC name of [2-[(2-amino-4-chloro-5-fluoroanilino)methyl]cyclohexyl]methanol (CID 66077092) is [2-[(2-amino-4-chloro-5-fluoroanilino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [2-[(2-amino-4-chloro-5-fluoroanilino)methyl]cyclohexyl]methanol?
The canonical SMILES for [2-[(2-amino-4-chloro-5-fluoroanilino)methyl]cyclohexyl]methanol is Nc1cc(Cl)c(F)cc1NCC1CCCCC1CO.
What is the InChIKey of [2-[(2-amino-4-chloro-5-fluoroanilino)methyl]cyclohexyl]methanol?
The InChIKey is UXVQEPAIVPLQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2O/c15-11-5-13(17)14(6-12(11)16)18-7-9-3-1-2-4-10(9)8-19/h5-6,9-10,18-19H,1-4,7-8,17H2.
What are the key properties of [2-[(2-amino-4-chloro-5-fluoroanilino)methyl]cyclohexyl]methanol?
[2-[(2-amino-4-chloro-5-fluoroanilino)methyl]cyclohexyl]methanol has a molecular weight of 286.78 g/mol, XLogP of 3.27, 4 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]cyclohexyl]methanol is sourced from PubChem (CID 66077092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).