[4-(2-amino-4-fluoro-5-methylanilino)cyclohexyl]methanol

C14H21FN2O — CID 112753271

IUPAC[4-(2-amino-4-fluoro-5-methylanilino)cyclohexyl]methanol
SMILESCc1cc(NC2CCC(CO)CC2)c(N)cc1F
InChIInChI=1S/C14H21FN2O/c1-9-6-14(13(16)7-12(9)15)17-11-4-2-10(8-18)3-5-11/h6-7,10-11,17-18H,2-5,8,16H2,1H3
InChIKeySXRDDLFEPDWEIK-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.68
Rot. Bonds3

About [4-(2-amino-4-fluoro-5-methylanilino)cyclohexyl]methanol

[4-(2-amino-4-fluoro-5-methylanilino)cyclohexyl]methanol (PubChem CID 112753271) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is [4-(2-amino-4-fluoro-5-methylanilino)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-(2-amino-4-fluoro-5-methylanilino)cyclohexyl]methanol
PubChem CID112753271
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name[4-(2-amino-4-fluoro-5-methylanilino)cyclohexyl]methanol
SMILESCc1cc(NC2CCC(CO)CC2)c(N)cc1F
InChIInChI=1S/C14H21FN2O/c1-9-6-14(13(16)7-12(9)15)17-11-4-2-10(8-18)3-5-11/h6-7,10-11,17-18H,2-5,8,16H2,1H3
InChIKeySXRDDLFEPDWEIK-UHFFFAOYSA-N
XLogP2.68
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4-(2-amino-4-fluoro-5-methylanilino)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

Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-4-fluoro-5-methylanilino)cyclohexyl]methanol?
The IUPAC name of [4-(2-amino-4-fluoro-5-methylanilino)cyclohexyl]methanol (CID 112753271) is [4-(2-amino-4-fluoro-5-methylanilino)cyclohexyl]methanol.
What is the SMILES notation for [4-(2-amino-4-fluoro-5-methylanilino)cyclohexyl]methanol?
The canonical SMILES for [4-(2-amino-4-fluoro-5-methylanilino)cyclohexyl]methanol is Cc1cc(NC2CCC(CO)CC2)c(N)cc1F.
What is the InChIKey of [4-(2-amino-4-fluoro-5-methylanilino)cyclohexyl]methanol?
The InChIKey is SXRDDLFEPDWEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-9-6-14(13(16)7-12(9)15)17-11-4-2-10(8-18)3-5-11/h6-7,10-11,17-18H,2-5,8,16H2,1H3.
What are the key properties of [4-(2-amino-4-fluoro-5-methylanilino)cyclohexyl]methanol?
[4-(2-amino-4-fluoro-5-methylanilino)cyclohexyl]methanol has a molecular weight of 252.33 g/mol, XLogP of 2.68, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-4-fluoro-5-methylanilino)cyclohexyl]methanol is sourced from PubChem (CID 112753271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).