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

C17H26ClNO2 — CID 60970986

IUPAC1-(3-chlorophenoxy)-3-[(4-ethylcyclohexyl)amino]propan-2-ol
SMILESCCC1CCC(NCC(O)COc2cccc(Cl)c2)CC1
InChIInChI=1S/C17H26ClNO2/c1-2-13-6-8-15(9-7-13)19-11-16(20)12-21-17-5-3-4-14(18)10-17/h3-5,10,13,15-16,19-20H,2,6-9,11-12H2,1H3
InChIKeyMKEYNHUGWSTVLP-UHFFFAOYSA-N
MW311.85 g/mol
LogP3.64
Rot. Bonds7

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

1-(3-chlorophenoxy)-3-[(4-ethylcyclohexyl)amino]propan-2-ol (PubChem CID 60970986) has the molecular formula C17H26ClNO2 and a molecular weight of 311.85 g/mol. Its IUPAC name is 1-(3-chlorophenoxy)-3-[(4-ethylcyclohexyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(3-chlorophenoxy)-3-[(4-ethylcyclohexyl)amino]propan-2-ol
PubChem CID60970986
Molecular FormulaC17H26ClNO2
Molecular Weight311.85 g/mol
Exact Mass311.17
IUPAC Name1-(3-chlorophenoxy)-3-[(4-ethylcyclohexyl)amino]propan-2-ol
SMILESCCC1CCC(NCC(O)COc2cccc(Cl)c2)CC1
InChIInChI=1S/C17H26ClNO2/c1-2-13-6-8-15(9-7-13)19-11-16(20)12-21-17-5-3-4-14(18)10-17/h3-5,10,13,15-16,19-20H,2,6-9,11-12H2,1H3
InChIKeyMKEYNHUGWSTVLP-UHFFFAOYSA-N
XLogP3.64
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.85
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-ethylcyclohexyl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 60970383
1-(3-chlorophenoxy)-3-[(3-ethylcyclohexyl)amino]propan-2-ol
CID 64741452
1-(3-chlorophenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 54937624
2-(3-chlorophenoxy)-1-(4-ethylcyclohexyl)ethanol
CID 105103670
2-(3-chlorophenoxy)-1-(4-ethylcyclohexyl)ethanamine
CID 105155171
1-(3-chlorophenoxy)-3-(oxan-4-ylmethylamino)propan-2-ol
CID 63712910
1-(3-chlorophenoxy)pentan-2-ol
CID 105083098
1-(cyclopentylamino)-3-(3,4-dimethylphenoxy)propan-2-ol
CID 2967956
1-[(1-benzylpiperidin-4-yl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 3633998
1-(4-chlorophenoxy)-3-(cyclooctylamino)propan-2-ol
CID 60635581
1-[(3,4-dimethylcyclohexyl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 64741127
(2R)-1-[[1-[(2R)-3-(3,4-dichlorophenoxy)-2-hydroxypropyl]piperidin-4-yl]amino]-3-(3-methoxyphenoxy)propan-2-ol
CID 138517895

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenoxy)-3-[(4-ethylcyclohexyl)amino]propan-2-ol?
The IUPAC name of 1-(3-chlorophenoxy)-3-[(4-ethylcyclohexyl)amino]propan-2-ol (CID 60970986) is 1-(3-chlorophenoxy)-3-[(4-ethylcyclohexyl)amino]propan-2-ol.
What is the SMILES notation for 1-(3-chlorophenoxy)-3-[(4-ethylcyclohexyl)amino]propan-2-ol?
The canonical SMILES for 1-(3-chlorophenoxy)-3-[(4-ethylcyclohexyl)amino]propan-2-ol is CCC1CCC(NCC(O)COc2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenoxy)-3-[(4-ethylcyclohexyl)amino]propan-2-ol?
The InChIKey is MKEYNHUGWSTVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO2/c1-2-13-6-8-15(9-7-13)19-11-16(20)12-21-17-5-3-4-14(18)10-17/h3-5,10,13,15-16,19-20H,2,6-9,11-12H2,1H3.
What are the key properties of 1-(3-chlorophenoxy)-3-[(4-ethylcyclohexyl)amino]propan-2-ol?
1-(3-chlorophenoxy)-3-[(4-ethylcyclohexyl)amino]propan-2-ol has a molecular weight of 311.85 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenoxy)-3-[(4-ethylcyclohexyl)amino]propan-2-ol is sourced from PubChem (CID 60970986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).