3-[cyclohexyl(ethyl)amino]-2-methyl-1-phenylpropan-1-ol

C18H29NO — CID 62618121

IUPAC3-[cyclohexyl(ethyl)amino]-2-methyl-1-phenylpropan-1-ol
SMILESCCN(CC(C)C(O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C18H29NO/c1-3-19(17-12-8-5-9-13-17)14-15(2)18(20)16-10-6-4-7-11-16/h4,6-7,10-11,15,17-18,20H,3,5,8-9,12-14H2,1-2H3
InChIKeyYBDSCRBALCSRIZ-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.01
Rot. Bonds6

About 3-[cyclohexyl(ethyl)amino]-2-methyl-1-phenylpropan-1-ol

3-[cyclohexyl(ethyl)amino]-2-methyl-1-phenylpropan-1-ol (PubChem CID 62618121) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 3-[cyclohexyl(ethyl)amino]-2-methyl-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[cyclohexyl(ethyl)amino]-2-methyl-1-phenylpropan-1-ol
PubChem CID62618121
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name3-[cyclohexyl(ethyl)amino]-2-methyl-1-phenylpropan-1-ol
SMILESCCN(CC(C)C(O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C18H29NO/c1-3-19(17-12-8-5-9-13-17)14-15(2)18(20)16-10-6-4-7-11-16/h4,6-7,10-11,15,17-18,20H,3,5,8-9,12-14H2,1-2H3
InChIKeyYBDSCRBALCSRIZ-UHFFFAOYSA-N
XLogP4.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclopropyl(ethyl)amino]-2-methyl-1-phenylpropan-1-ol
CID 62619676
3-[cyclopentyl(2-hydroxyethyl)amino]-2-methyl-1-phenylpropan-1-ol
CID 62617126
N'-cyclopentyl-N,N'-diethyl-2-methyl-1-phenylpropane-1,3-diamine
CID 62617718
3-[cyclopropyl(ethyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 112679918
1-[cyclohexyl(ethyl)amino]-3-phenylpropan-2-ol
CID 112811309
3-[cyclopentyl(ethyl)amino]-2-phenylpropanoic acid
CID 63067063
N'-cyclohexyl-N'-ethyl-1-phenyl-N-propylethane-1,2-diamine
CID 63466722
3-[cyclohexyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997052
2-(dicyclohexylamino)-1-phenylethanol
CID 10946557
N'-cyclohexyl-N'-ethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 43108213
2-[cyclopentyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]ethanol
CID 62618091
2-methyl-3-[methyl(thiolan-3-yl)amino]-1-phenylpropan-1-ol
CID 62619338

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(ethyl)amino]-2-methyl-1-phenylpropan-1-ol?
The IUPAC name of 3-[cyclohexyl(ethyl)amino]-2-methyl-1-phenylpropan-1-ol (CID 62618121) is 3-[cyclohexyl(ethyl)amino]-2-methyl-1-phenylpropan-1-ol.
What is the SMILES notation for 3-[cyclohexyl(ethyl)amino]-2-methyl-1-phenylpropan-1-ol?
The canonical SMILES for 3-[cyclohexyl(ethyl)amino]-2-methyl-1-phenylpropan-1-ol is CCN(CC(C)C(O)c1ccccc1)C1CCCCC1.
What is the InChIKey of 3-[cyclohexyl(ethyl)amino]-2-methyl-1-phenylpropan-1-ol?
The InChIKey is YBDSCRBALCSRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-19(17-12-8-5-9-13-17)14-15(2)18(20)16-10-6-4-7-11-16/h4,6-7,10-11,15,17-18,20H,3,5,8-9,12-14H2,1-2H3.
What are the key properties of 3-[cyclohexyl(ethyl)amino]-2-methyl-1-phenylpropan-1-ol?
3-[cyclohexyl(ethyl)amino]-2-methyl-1-phenylpropan-1-ol has a molecular weight of 275.44 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(ethyl)amino]-2-methyl-1-phenylpropan-1-ol is sourced from PubChem (CID 62618121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).