1-(2,6-dichloro-4-methoxyphenyl)-2-[(3,3-dimethylcyclobutyl)methylamino]ethanol

C16H23Cl2NO2 — CID 123773588

IUPAC1-(2,6-dichloro-4-methoxyphenyl)-2-[(3,3-dimethylcyclobutyl)methylamino]ethanol
SMILESCOc1cc(Cl)c(C(O)CNCC2CC(C)(C)C2)c(Cl)c1
InChIInChI=1S/C16H23Cl2NO2/c1-16(2)6-10(7-16)8-19-9-14(20)15-12(17)4-11(21-3)5-13(15)18/h4-5,10,14,19-20H,6-9H2,1-3H3
InChIKeyPEJMKFIWSMSLQM-UHFFFAOYSA-N
MW332.27 g/mol
LogP4.06
Rot. Bonds6

About 1-(2,6-dichloro-4-methoxyphenyl)-2-[(3,3-dimethylcyclobutyl)methylamino]ethanol

1-(2,6-dichloro-4-methoxyphenyl)-2-[(3,3-dimethylcyclobutyl)methylamino]ethanol (PubChem CID 123773588) has the molecular formula C16H23Cl2NO2 and a molecular weight of 332.27 g/mol. Its IUPAC name is 1-(2,6-dichloro-4-methoxyphenyl)-2-[(3,3-dimethylcyclobutyl)methylamino]ethanol.

Molecular Properties

Compound Name1-(2,6-dichloro-4-methoxyphenyl)-2-[(3,3-dimethylcyclobutyl)methylamino]ethanol
PubChem CID123773588
Molecular FormulaC16H23Cl2NO2
Molecular Weight332.27 g/mol
Exact Mass331.11
IUPAC Name1-(2,6-dichloro-4-methoxyphenyl)-2-[(3,3-dimethylcyclobutyl)methylamino]ethanol
SMILESCOc1cc(Cl)c(C(O)CNCC2CC(C)(C)C2)c(Cl)c1
InChIInChI=1S/C16H23Cl2NO2/c1-16(2)6-10(7-16)8-19-9-14(20)15-12(17)4-11(21-3)5-13(15)18/h4-5,10,14,19-20H,6-9H2,1-3H3
InChIKeyPEJMKFIWSMSLQM-UHFFFAOYSA-N
XLogP4.06
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.27
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2,6-dichloro-4-methoxyphenyl)-2-[(3,3-dimethylcyclobutyl)methylamino]ethanol with MolForge

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Related Compounds

2-(2,6-dichloro-4-methoxyphenyl)-N-[(3,3-dimethylcyclobutyl)methyl]-2-triethylsilyloxyethanamine
CID 123321199
1-(2-chlorophenyl)-2-[(4-ethylcyclohexyl)methylamino]ethanol
CID 60971864
1-(2-chlorophenyl)-2-(cyclopropylmethylamino)ethanol
CID 60903428
2-(cyclopentylmethylamino)-1-(2,5-dichlorophenyl)ethanol
CID 60900468
(1R)-2-[(3-chlorothiophen-2-yl)methylamino]-1-(3,5-dimethoxyphenyl)ethanol
CID 124625577
3-[[2-hydroxy-2-(4-methoxy-2,6-dimethylphenyl)ethyl]amino]propan-1-ol
CID 82315821
1-(4-methoxy-2,6-dimethylphenyl)-2-(3-methylbutylamino)ethanol
CID 82315854
1-(4-methoxy-2,6-dimethylphenyl)-2-(methylamino)ethanol
CID 82315849
(1S,3S)-1,3-bis(2,6-dichloro-4-methoxyphenyl)propane-1,3-diamine
CID 131850438
1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)ethanol
CID 82315829
1-(2,6-dichlorophenyl)-2-(4-methoxyphenyl)ethanol
CID 63018440
1-(3-methoxyphenyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]ethanol
CID 106025460

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichloro-4-methoxyphenyl)-2-[(3,3-dimethylcyclobutyl)methylamino]ethanol?
The IUPAC name of 1-(2,6-dichloro-4-methoxyphenyl)-2-[(3,3-dimethylcyclobutyl)methylamino]ethanol (CID 123773588) is 1-(2,6-dichloro-4-methoxyphenyl)-2-[(3,3-dimethylcyclobutyl)methylamino]ethanol.
What is the SMILES notation for 1-(2,6-dichloro-4-methoxyphenyl)-2-[(3,3-dimethylcyclobutyl)methylamino]ethanol?
The canonical SMILES for 1-(2,6-dichloro-4-methoxyphenyl)-2-[(3,3-dimethylcyclobutyl)methylamino]ethanol is COc1cc(Cl)c(C(O)CNCC2CC(C)(C)C2)c(Cl)c1.
What is the InChIKey of 1-(2,6-dichloro-4-methoxyphenyl)-2-[(3,3-dimethylcyclobutyl)methylamino]ethanol?
The InChIKey is PEJMKFIWSMSLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO2/c1-16(2)6-10(7-16)8-19-9-14(20)15-12(17)4-11(21-3)5-13(15)18/h4-5,10,14,19-20H,6-9H2,1-3H3.
What are the key properties of 1-(2,6-dichloro-4-methoxyphenyl)-2-[(3,3-dimethylcyclobutyl)methylamino]ethanol?
1-(2,6-dichloro-4-methoxyphenyl)-2-[(3,3-dimethylcyclobutyl)methylamino]ethanol has a molecular weight of 332.27 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloro-4-methoxyphenyl)-2-[(3,3-dimethylcyclobutyl)methylamino]ethanol is sourced from PubChem (CID 123773588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).