1-[(4-ethylcyclohexyl)amino]-3-(3-methylphenoxy)propan-2-ol

C18H29NO2 — CID 60970383

IUPAC1-[(4-ethylcyclohexyl)amino]-3-(3-methylphenoxy)propan-2-ol
SMILESCCC1CCC(NCC(O)COc2cccc(C)c2)CC1
InChIInChI=1S/C18H29NO2/c1-3-15-7-9-16(10-8-15)19-12-17(20)13-21-18-6-4-5-14(2)11-18/h4-6,11,15-17,19-20H,3,7-10,12-13H2,1-2H3
InChIKeyIDROJMBJNOBYIZ-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.29
Rot. Bonds7

About 1-[(4-ethylcyclohexyl)amino]-3-(3-methylphenoxy)propan-2-ol

1-[(4-ethylcyclohexyl)amino]-3-(3-methylphenoxy)propan-2-ol (PubChem CID 60970383) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[(4-ethylcyclohexyl)amino]-3-(3-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(4-ethylcyclohexyl)amino]-3-(3-methylphenoxy)propan-2-ol
PubChem CID60970383
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-[(4-ethylcyclohexyl)amino]-3-(3-methylphenoxy)propan-2-ol
SMILESCCC1CCC(NCC(O)COc2cccc(C)c2)CC1
InChIInChI=1S/C18H29NO2/c1-3-15-7-9-16(10-8-15)19-12-17(20)13-21-18-6-4-5-14(2)11-18/h4-6,11,15-17,19-20H,3,7-10,12-13H2,1-2H3
InChIKeyIDROJMBJNOBYIZ-UHFFFAOYSA-N
XLogP3.29
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenoxy)-3-[(4-ethylcyclohexyl)amino]propan-2-ol
CID 60970986
1-[(3,4-dimethylcyclohexyl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 64741127
1-[(1-benzylpiperidin-4-yl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 3633998
1-(cyclopentylamino)-3-(3,4-dimethylphenoxy)propan-2-ol
CID 2967956
1-(3-chlorophenoxy)-3-[(3-ethylcyclohexyl)amino]propan-2-ol
CID 64741452
1-(3-methylphenoxy)butan-2-ol
CID 13089920
(2S)-1-(3-methylphenoxy)-3-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-2-ol
CID 95322946
1-(cyclopropylamino)-3-(2,6-dimethylphenoxy)propan-2-ol
CID 43090638
(2R)-4-cyclopentyl-1-(3-methylphenoxy)butan-2-ol
CID 161303338
1-(3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 4728846
3-[3-(cyclopentylamino)-2-hydroxypropoxy]benzonitrile
CID 60904310
3-ethyl-1-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]pentan-2-ol
CID 106285812

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylcyclohexyl)amino]-3-(3-methylphenoxy)propan-2-ol?
The IUPAC name of 1-[(4-ethylcyclohexyl)amino]-3-(3-methylphenoxy)propan-2-ol (CID 60970383) is 1-[(4-ethylcyclohexyl)amino]-3-(3-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[(4-ethylcyclohexyl)amino]-3-(3-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-[(4-ethylcyclohexyl)amino]-3-(3-methylphenoxy)propan-2-ol is CCC1CCC(NCC(O)COc2cccc(C)c2)CC1.
What is the InChIKey of 1-[(4-ethylcyclohexyl)amino]-3-(3-methylphenoxy)propan-2-ol?
The InChIKey is IDROJMBJNOBYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-3-15-7-9-16(10-8-15)19-12-17(20)13-21-18-6-4-5-14(2)11-18/h4-6,11,15-17,19-20H,3,7-10,12-13H2,1-2H3.
What are the key properties of 1-[(4-ethylcyclohexyl)amino]-3-(3-methylphenoxy)propan-2-ol?
1-[(4-ethylcyclohexyl)amino]-3-(3-methylphenoxy)propan-2-ol has a molecular weight of 291.44 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylcyclohexyl)amino]-3-(3-methylphenoxy)propan-2-ol is sourced from PubChem (CID 60970383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).