1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-(4-chlorophenyl)ethanol

C18H28ClNO — CID 79125144

IUPAC1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-(4-chlorophenyl)ethanol
SMILESCC(C)C1CCC(CN)(C(C)(O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H28ClNO/c1-13(2)14-8-10-18(12-20,11-9-14)17(3,21)15-4-6-16(19)7-5-15/h4-7,13-14,21H,8-12,20H2,1-3H3
InChIKeyKRUZWVPKUUYZRN-UHFFFAOYSA-N
MW309.88 g/mol
LogP4.34
Rot. Bonds4

About 1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-(4-chlorophenyl)ethanol

1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-(4-chlorophenyl)ethanol (PubChem CID 79125144) has the molecular formula C18H28ClNO and a molecular weight of 309.88 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-(4-chlorophenyl)ethanol.

Molecular Properties

Compound Name1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-(4-chlorophenyl)ethanol
PubChem CID79125144
Molecular FormulaC18H28ClNO
Molecular Weight309.88 g/mol
Exact Mass309.19
IUPAC Name1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-(4-chlorophenyl)ethanol
SMILESCC(C)C1CCC(CN)(C(C)(O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H28ClNO/c1-13(2)14-8-10-18(12-20,11-9-14)17(3,21)15-4-6-16(19)7-5-15/h4-7,13-14,21H,8-12,20H2,1-3H3
InChIKeyKRUZWVPKUUYZRN-UHFFFAOYSA-N
XLogP4.34
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-(4-chlorophenyl)ethanol 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 1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-(4-chlorophenyl)ethanol?
The IUPAC name of 1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-(4-chlorophenyl)ethanol (CID 79125144) is 1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-(4-chlorophenyl)ethanol.
What is the SMILES notation for 1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-(4-chlorophenyl)ethanol?
The canonical SMILES for 1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-(4-chlorophenyl)ethanol is CC(C)C1CCC(CN)(C(C)(O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-(4-chlorophenyl)ethanol?
The InChIKey is KRUZWVPKUUYZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClNO/c1-13(2)14-8-10-18(12-20,11-9-14)17(3,21)15-4-6-16(19)7-5-15/h4-7,13-14,21H,8-12,20H2,1-3H3.
What are the key properties of 1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-(4-chlorophenyl)ethanol?
1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-(4-chlorophenyl)ethanol has a molecular weight of 309.88 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-(4-chlorophenyl)ethanol is sourced from PubChem (CID 79125144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).