1-(4-chloro-3,5-dimethylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol

C14H22ClNO2 — CID 66336408

IUPAC1-(4-chloro-3,5-dimethylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol
SMILESCCNCC(C)(O)COc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C14H22ClNO2/c1-5-16-8-14(4,17)9-18-12-6-10(2)13(15)11(3)7-12/h6-7,16-17H,5,8-9H2,1-4H3
InChIKeyMDIHQDQUFAADDF-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.70
Rot. Bonds6

About 1-(4-chloro-3,5-dimethylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol

1-(4-chloro-3,5-dimethylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol (PubChem CID 66336408) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 1-(4-chloro-3,5-dimethylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(4-chloro-3,5-dimethylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol
PubChem CID66336408
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name1-(4-chloro-3,5-dimethylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol
SMILESCCNCC(C)(O)COc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C14H22ClNO2/c1-5-16-8-14(4,17)9-18-12-6-10(2)13(15)11(3)7-12/h6-7,16-17H,5,8-9H2,1-4H3
InChIKeyMDIHQDQUFAADDF-UHFFFAOYSA-N
XLogP2.70
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(ethylamino)-2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 66335781
1-[(5-chloro-3-pyridinyl)oxy]-3-(ethylamino)-2-methylpropan-2-ol
CID 66335510
1-(2,6-dimethylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol
CID 66335778
1-(ethylamino)-3-(4-iodophenoxy)-2-methylpropan-2-ol
CID 66335040
1-(ethylamino)-2-methyl-3-(4-phenylphenoxy)propan-2-ol
CID 66336102
1-(5-bromo-2-methylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol
CID 107283637
1-(4-chloro-2-fluorophenoxy)-3-(ethylamino)-2-methylpropan-2-ol
CID 114267868
methyl 3-(4-chloro-3,5-dimethylphenoxy)-2,2-dimethylpropanoate
CID 79623048
1-(4-bromo-3-methylphenoxy)-2-methyl-3-(propylamino)propan-2-ol
CID 83133948
2-methyl-1-(3-methyl-4-propan-2-ylphenoxy)-3-(propylamino)propan-2-ol
CID 66335780
N-[[5-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62484481
2-chloro-1,3-dimethyl-5-propoxybenzene
CID 123140196

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3,5-dimethylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-(4-chloro-3,5-dimethylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol (CID 66336408) is 1-(4-chloro-3,5-dimethylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(4-chloro-3,5-dimethylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(4-chloro-3,5-dimethylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol is CCNCC(C)(O)COc1cc(C)c(Cl)c(C)c1.
What is the InChIKey of 1-(4-chloro-3,5-dimethylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol?
The InChIKey is MDIHQDQUFAADDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-5-16-8-14(4,17)9-18-12-6-10(2)13(15)11(3)7-12/h6-7,16-17H,5,8-9H2,1-4H3.
What are the key properties of 1-(4-chloro-3,5-dimethylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol?
1-(4-chloro-3,5-dimethylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol has a molecular weight of 271.79 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3,5-dimethylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 66336408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).