4-(aminomethyl)-4-(2,5-difluorophenyl)cyclohexan-1-ol

C13H17F2NO — CID 25168429

IUPAC4-(aminomethyl)-4-(2,5-difluorophenyl)cyclohexan-1-ol
SMILESNCC1(c2cc(F)ccc2F)CCC(O)CC1
InChIInChI=1S/C13H17F2NO/c14-9-1-2-12(15)11(7-9)13(8-16)5-3-10(17)4-6-13/h1-2,7,10,17H,3-6,8,16H2
InChIKeyOKACNIIHCARFPN-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.10
Rot. Bonds2

About 4-(aminomethyl)-4-(2,5-difluorophenyl)cyclohexan-1-ol

4-(aminomethyl)-4-(2,5-difluorophenyl)cyclohexan-1-ol (PubChem CID 25168429) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 4-(aminomethyl)-4-(2,5-difluorophenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(aminomethyl)-4-(2,5-difluorophenyl)cyclohexan-1-ol
PubChem CID25168429
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name4-(aminomethyl)-4-(2,5-difluorophenyl)cyclohexan-1-ol
SMILESNCC1(c2cc(F)ccc2F)CCC(O)CC1
InChIInChI=1S/C13H17F2NO/c14-9-1-2-12(15)11(7-9)13(8-16)5-3-10(17)4-6-13/h1-2,7,10,17H,3-6,8,16H2
InChIKeyOKACNIIHCARFPN-UHFFFAOYSA-N
XLogP2.10
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(aminomethyl)-4-(2,5-difluorophenyl)cyclohexan-1-ol 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-(aminomethyl)-4-(2,5-difluorophenyl)cyclohexan-1-ol?
The IUPAC name of 4-(aminomethyl)-4-(2,5-difluorophenyl)cyclohexan-1-ol (CID 25168429) is 4-(aminomethyl)-4-(2,5-difluorophenyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(aminomethyl)-4-(2,5-difluorophenyl)cyclohexan-1-ol?
The canonical SMILES for 4-(aminomethyl)-4-(2,5-difluorophenyl)cyclohexan-1-ol is NCC1(c2cc(F)ccc2F)CCC(O)CC1.
What is the InChIKey of 4-(aminomethyl)-4-(2,5-difluorophenyl)cyclohexan-1-ol?
The InChIKey is OKACNIIHCARFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c14-9-1-2-12(15)11(7-9)13(8-16)5-3-10(17)4-6-13/h1-2,7,10,17H,3-6,8,16H2.
What are the key properties of 4-(aminomethyl)-4-(2,5-difluorophenyl)cyclohexan-1-ol?
4-(aminomethyl)-4-(2,5-difluorophenyl)cyclohexan-1-ol has a molecular weight of 241.28 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-4-(2,5-difluorophenyl)cyclohexan-1-ol is sourced from PubChem (CID 25168429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).