1-(5-chloro-2-methoxyphenyl)-2-(dimethylamino)-2-methylbutan-1-ol

C14H22ClNO2 — CID 79064289

IUPAC1-(5-chloro-2-methoxyphenyl)-2-(dimethylamino)-2-methylbutan-1-ol
SMILESCCC(C)(C(O)c1cc(Cl)ccc1OC)N(C)C
InChIInChI=1S/C14H22ClNO2/c1-6-14(2,16(3)4)13(17)11-9-10(15)7-8-12(11)18-5/h7-9,13,17H,6H2,1-5H3
InChIKeyBWHRWOCTUZJCBW-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.11
Rot. Bonds5

About 1-(5-chloro-2-methoxyphenyl)-2-(dimethylamino)-2-methylbutan-1-ol

1-(5-chloro-2-methoxyphenyl)-2-(dimethylamino)-2-methylbutan-1-ol (PubChem CID 79064289) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-2-(dimethylamino)-2-methylbutan-1-ol.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-2-(dimethylamino)-2-methylbutan-1-ol
PubChem CID79064289
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name1-(5-chloro-2-methoxyphenyl)-2-(dimethylamino)-2-methylbutan-1-ol
SMILESCCC(C)(C(O)c1cc(Cl)ccc1OC)N(C)C
InChIInChI=1S/C14H22ClNO2/c1-6-14(2,16(3)4)13(17)11-9-10(15)7-8-12(11)18-5/h7-9,13,17H,6H2,1-5H3
InChIKeyBWHRWOCTUZJCBW-UHFFFAOYSA-N
XLogP3.11
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethoxyphenyl)-2-(dimethylamino)-2-methylbutan-1-ol
CID 79064671
1-(5-chloro-2-methoxyphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-ol
CID 64769915
1-(5-chloro-2-methoxyphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine
CID 79053738
1-(5-chloro-2-methoxyphenyl)-1-N,2-diethyl-2-N,2-N-dimethylbutane-1,2-diamine
CID 79058856
(1R)-1-(5-chloro-2-methoxyphenyl)propan-1-amine;hydrochloride
CID 171215023
(1S,2R)-1-amino-1-(5-chloro-2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 171271304
2-(5-chloro-2-methoxyphenyl)propane-1,3-diol
CID 82113852
(2S)-2-amino-2-(5-chloro-2-methoxyphenyl)ethanol;hydrochloride
CID 171215057
(3S)-3-amino-3-(5-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-ol
CID 171244642
(1R)-1-(5-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 130039782
(5-chloro-2-methoxyphenyl)-[4-(difluoromethyl)phenyl]methanol
CID 115525000
(2-tert-butylphenyl)-(5-chloro-2-methoxyphenyl)methanol
CID 104546182

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-(dimethylamino)-2-methylbutan-1-ol?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-(dimethylamino)-2-methylbutan-1-ol (CID 79064289) is 1-(5-chloro-2-methoxyphenyl)-2-(dimethylamino)-2-methylbutan-1-ol.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-2-(dimethylamino)-2-methylbutan-1-ol?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-2-(dimethylamino)-2-methylbutan-1-ol is CCC(C)(C(O)c1cc(Cl)ccc1OC)N(C)C.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-2-(dimethylamino)-2-methylbutan-1-ol?
The InChIKey is BWHRWOCTUZJCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-6-14(2,16(3)4)13(17)11-9-10(15)7-8-12(11)18-5/h7-9,13,17H,6H2,1-5H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-2-(dimethylamino)-2-methylbutan-1-ol?
1-(5-chloro-2-methoxyphenyl)-2-(dimethylamino)-2-methylbutan-1-ol has a molecular weight of 271.79 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-2-(dimethylamino)-2-methylbutan-1-ol is sourced from PubChem (CID 79064289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).