4-[[(2R)-2-hydroxypropyl]amino]-1-(4-propan-2-ylphenyl)cyclohexan-1-ol

C18H29NO2 — CID 86786670

IUPAC4-[[(2R)-2-hydroxypropyl]amino]-1-(4-propan-2-ylphenyl)cyclohexan-1-ol
SMILESCC(C)c1ccc(C2(O)CCC(NC[C@@H](C)O)CC2)cc1
InChIInChI=1S/C18H29NO2/c1-13(2)15-4-6-16(7-5-15)18(21)10-8-17(9-11-18)19-12-14(3)20/h4-7,13-14,17,19-21H,8-12H2,1-3H3/t14-,17?,18?/m1/s1
InChIKeyIWZAXRLCNBWIJF-RWBZWWBESA-N
MW291.44 g/mol
LogP2.91
Rot. Bonds5

About 4-[[(2R)-2-hydroxypropyl]amino]-1-(4-propan-2-ylphenyl)cyclohexan-1-ol

4-[[(2R)-2-hydroxypropyl]amino]-1-(4-propan-2-ylphenyl)cyclohexan-1-ol (PubChem CID 86786670) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-[[(2R)-2-hydroxypropyl]amino]-1-(4-propan-2-ylphenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[(2R)-2-hydroxypropyl]amino]-1-(4-propan-2-ylphenyl)cyclohexan-1-ol
PubChem CID86786670
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name4-[[(2R)-2-hydroxypropyl]amino]-1-(4-propan-2-ylphenyl)cyclohexan-1-ol
SMILESCC(C)c1ccc(C2(O)CCC(NC[C@@H](C)O)CC2)cc1
InChIInChI=1S/C18H29NO2/c1-13(2)15-4-6-16(7-5-15)18(21)10-8-17(9-11-18)19-12-14(3)20/h4-7,13-14,17,19-21H,8-12H2,1-3H3/t14-,17?,18?/m1/s1
InChIKeyIWZAXRLCNBWIJF-RWBZWWBESA-N
XLogP2.91
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[(2R)-2-hydroxypropyl]amino]-1-(4-propan-2-ylphenyl)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-[[(2R)-2-hydroxypropyl]amino]-1-(4-propan-2-ylphenyl)cyclohexan-1-ol?
The IUPAC name of 4-[[(2R)-2-hydroxypropyl]amino]-1-(4-propan-2-ylphenyl)cyclohexan-1-ol (CID 86786670) is 4-[[(2R)-2-hydroxypropyl]amino]-1-(4-propan-2-ylphenyl)cyclohexan-1-ol.
What is the SMILES notation for 4-[[(2R)-2-hydroxypropyl]amino]-1-(4-propan-2-ylphenyl)cyclohexan-1-ol?
The canonical SMILES for 4-[[(2R)-2-hydroxypropyl]amino]-1-(4-propan-2-ylphenyl)cyclohexan-1-ol is CC(C)c1ccc(C2(O)CCC(NC[C@@H](C)O)CC2)cc1.
What is the InChIKey of 4-[[(2R)-2-hydroxypropyl]amino]-1-(4-propan-2-ylphenyl)cyclohexan-1-ol?
The InChIKey is IWZAXRLCNBWIJF-RWBZWWBESA-N. The full InChI is InChI=1S/C18H29NO2/c1-13(2)15-4-6-16(7-5-15)18(21)10-8-17(9-11-18)19-12-14(3)20/h4-7,13-14,17,19-21H,8-12H2,1-3H3/t14-,17?,18?/m1/s1.
What are the key properties of 4-[[(2R)-2-hydroxypropyl]amino]-1-(4-propan-2-ylphenyl)cyclohexan-1-ol?
4-[[(2R)-2-hydroxypropyl]amino]-1-(4-propan-2-ylphenyl)cyclohexan-1-ol has a molecular weight of 291.44 g/mol, XLogP of 2.91, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-hydroxypropyl]amino]-1-(4-propan-2-ylphenyl)cyclohexan-1-ol is sourced from PubChem (CID 86786670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).