4-(aminomethyl)-4-(4-fluorophenyl)cyclohexan-1-ol

C13H18FNO — CID 24730057

IUPAC4-(aminomethyl)-4-(4-fluorophenyl)cyclohexan-1-ol
SMILESNCC1(c2ccc(F)cc2)CCC(O)CC1
InChIInChI=1S/C13H18FNO/c14-11-3-1-10(2-4-11)13(9-15)7-5-12(16)6-8-13/h1-4,12,16H,5-9,15H2
InChIKeyCXISUUMUSKWVQB-UHFFFAOYSA-N
MW223.29 g/mol
LogP1.96
Rot. Bonds2

About 4-(aminomethyl)-4-(4-fluorophenyl)cyclohexan-1-ol

4-(aminomethyl)-4-(4-fluorophenyl)cyclohexan-1-ol (PubChem CID 24730057) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 4-(aminomethyl)-4-(4-fluorophenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(aminomethyl)-4-(4-fluorophenyl)cyclohexan-1-ol
PubChem CID24730057
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name4-(aminomethyl)-4-(4-fluorophenyl)cyclohexan-1-ol
SMILESNCC1(c2ccc(F)cc2)CCC(O)CC1
InChIInChI=1S/C13H18FNO/c14-11-3-1-10(2-4-11)13(9-15)7-5-12(16)6-8-13/h1-4,12,16H,5-9,15H2
InChIKeyCXISUUMUSKWVQB-UHFFFAOYSA-N
XLogP1.96
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-4-(4-fluorophenyl)cyclohexan-1-ol?
The IUPAC name of 4-(aminomethyl)-4-(4-fluorophenyl)cyclohexan-1-ol (CID 24730057) is 4-(aminomethyl)-4-(4-fluorophenyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(aminomethyl)-4-(4-fluorophenyl)cyclohexan-1-ol?
The canonical SMILES for 4-(aminomethyl)-4-(4-fluorophenyl)cyclohexan-1-ol is NCC1(c2ccc(F)cc2)CCC(O)CC1.
What is the InChIKey of 4-(aminomethyl)-4-(4-fluorophenyl)cyclohexan-1-ol?
The InChIKey is CXISUUMUSKWVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c14-11-3-1-10(2-4-11)13(9-15)7-5-12(16)6-8-13/h1-4,12,16H,5-9,15H2.
What are the key properties of 4-(aminomethyl)-4-(4-fluorophenyl)cyclohexan-1-ol?
4-(aminomethyl)-4-(4-fluorophenyl)cyclohexan-1-ol has a molecular weight of 223.29 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-4-(4-fluorophenyl)cyclohexan-1-ol is sourced from PubChem (CID 24730057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).