2-[(3,5-dimethylcyclohexyl)amino]-1-(4-propan-2-ylphenyl)ethanol

C19H31NO — CID 64733261

IUPAC2-[(3,5-dimethylcyclohexyl)amino]-1-(4-propan-2-ylphenyl)ethanol
SMILESCC1CC(C)CC(NCC(O)c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C19H31NO/c1-13(2)16-5-7-17(8-6-16)19(21)12-20-18-10-14(3)9-15(4)11-18/h5-8,13-15,18-21H,9-12H2,1-4H3
InChIKeyLTCCVNKKWCFTSH-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.26
Rot. Bonds5

About 2-[(3,5-dimethylcyclohexyl)amino]-1-(4-propan-2-ylphenyl)ethanol

2-[(3,5-dimethylcyclohexyl)amino]-1-(4-propan-2-ylphenyl)ethanol (PubChem CID 64733261) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-[(3,5-dimethylcyclohexyl)amino]-1-(4-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name2-[(3,5-dimethylcyclohexyl)amino]-1-(4-propan-2-ylphenyl)ethanol
PubChem CID64733261
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-[(3,5-dimethylcyclohexyl)amino]-1-(4-propan-2-ylphenyl)ethanol
SMILESCC1CC(C)CC(NCC(O)c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C19H31NO/c1-13(2)16-5-7-17(8-6-16)19(21)12-20-18-10-14(3)9-15(4)11-18/h5-8,13-15,18-21H,9-12H2,1-4H3
InChIKeyLTCCVNKKWCFTSH-UHFFFAOYSA-N
XLogP4.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylcyclohexyl)amino]-1-(4-propan-2-ylphenyl)ethanol?
The IUPAC name of 2-[(3,5-dimethylcyclohexyl)amino]-1-(4-propan-2-ylphenyl)ethanol (CID 64733261) is 2-[(3,5-dimethylcyclohexyl)amino]-1-(4-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 2-[(3,5-dimethylcyclohexyl)amino]-1-(4-propan-2-ylphenyl)ethanol?
The canonical SMILES for 2-[(3,5-dimethylcyclohexyl)amino]-1-(4-propan-2-ylphenyl)ethanol is CC1CC(C)CC(NCC(O)c2ccc(C(C)C)cc2)C1.
What is the InChIKey of 2-[(3,5-dimethylcyclohexyl)amino]-1-(4-propan-2-ylphenyl)ethanol?
The InChIKey is LTCCVNKKWCFTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-13(2)16-5-7-17(8-6-16)19(21)12-20-18-10-14(3)9-15(4)11-18/h5-8,13-15,18-21H,9-12H2,1-4H3.
What are the key properties of 2-[(3,5-dimethylcyclohexyl)amino]-1-(4-propan-2-ylphenyl)ethanol?
2-[(3,5-dimethylcyclohexyl)amino]-1-(4-propan-2-ylphenyl)ethanol has a molecular weight of 289.46 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylcyclohexyl)amino]-1-(4-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 64733261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).