2-[[2-(5-tert-butyl-2-methoxyphenyl)-2-chloroethyl]-methylamino]ethanol

C16H26ClNO2 — CID 82215489

IUPAC2-[[2-(5-tert-butyl-2-methoxyphenyl)-2-chloroethyl]-methylamino]ethanol
SMILESCOc1ccc(C(C)(C)C)cc1C(Cl)CN(C)CCO
InChIInChI=1S/C16H26ClNO2/c1-16(2,3)12-6-7-15(20-5)13(10-12)14(17)11-18(4)8-9-19/h6-7,10,14,19H,8-9,11H2,1-5H3
InChIKeyMGAUYZSHSRZHJF-UHFFFAOYSA-N
MW299.84 g/mol
LogP3.20
Rot. Bonds6

About 2-[[2-(5-tert-butyl-2-methoxyphenyl)-2-chloroethyl]-methylamino]ethanol

2-[[2-(5-tert-butyl-2-methoxyphenyl)-2-chloroethyl]-methylamino]ethanol (PubChem CID 82215489) has the molecular formula C16H26ClNO2 and a molecular weight of 299.84 g/mol. Its IUPAC name is 2-[[2-(5-tert-butyl-2-methoxyphenyl)-2-chloroethyl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[2-(5-tert-butyl-2-methoxyphenyl)-2-chloroethyl]-methylamino]ethanol
PubChem CID82215489
Molecular FormulaC16H26ClNO2
Molecular Weight299.84 g/mol
Exact Mass299.17
IUPAC Name2-[[2-(5-tert-butyl-2-methoxyphenyl)-2-chloroethyl]-methylamino]ethanol
SMILESCOc1ccc(C(C)(C)C)cc1C(Cl)CN(C)CCO
InChIInChI=1S/C16H26ClNO2/c1-16(2,3)12-6-7-15(20-5)13(10-12)14(17)11-18(4)8-9-19/h6-7,10,14,19H,8-9,11H2,1-5H3
InChIKeyMGAUYZSHSRZHJF-UHFFFAOYSA-N
XLogP3.20
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.84
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(5-tert-butyl-2-methoxyphenyl)-4-chlorobutan-1-ol
CID 82366989
N-[2-chloro-2-(2-methoxy-5-methylphenyl)ethyl]-N-methylbutan-1-amine
CID 82214740
1-(4-tert-butyl-2-methylphenoxy)-3-[2-hydroxyethyl(methyl)amino]propan-2-ol
CID 110877511
(2R)-2-amino-2-(5-tert-butyl-2-methoxyphenyl)ethanol
CID 66514274
1-(5-tert-butyl-2-methoxyphenyl)-N,N-dimethylethanamine
CID 116914596
1-(5-tert-butyl-2-methoxyphenyl)ethanethiol
CID 116866684
1-(5-tert-butyl-2-methoxyphenyl)-1-hydroxybutan-2-one
CID 116835810
4-(5-tert-butyl-2-methoxy-N-methylanilino)butan-1-ol
CID 115217458
amino-(5-tert-butyl-2-methoxyphenyl)methanethiol
CID 116939444
(5-tert-butyl-2-methoxyphenyl)-phenylmethanol
CID 171366960
2-[[2-chloro-2-(4-ethoxyphenyl)ethyl]-methylamino]ethanol
CID 82214847
2-amino-2-(5-tert-butyl-2-methoxyphenyl)acetic acid
CID 3582246

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-tert-butyl-2-methoxyphenyl)-2-chloroethyl]-methylamino]ethanol?
The IUPAC name of 2-[[2-(5-tert-butyl-2-methoxyphenyl)-2-chloroethyl]-methylamino]ethanol (CID 82215489) is 2-[[2-(5-tert-butyl-2-methoxyphenyl)-2-chloroethyl]-methylamino]ethanol.
What is the SMILES notation for 2-[[2-(5-tert-butyl-2-methoxyphenyl)-2-chloroethyl]-methylamino]ethanol?
The canonical SMILES for 2-[[2-(5-tert-butyl-2-methoxyphenyl)-2-chloroethyl]-methylamino]ethanol is COc1ccc(C(C)(C)C)cc1C(Cl)CN(C)CCO.
What is the InChIKey of 2-[[2-(5-tert-butyl-2-methoxyphenyl)-2-chloroethyl]-methylamino]ethanol?
The InChIKey is MGAUYZSHSRZHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO2/c1-16(2,3)12-6-7-15(20-5)13(10-12)14(17)11-18(4)8-9-19/h6-7,10,14,19H,8-9,11H2,1-5H3.
What are the key properties of 2-[[2-(5-tert-butyl-2-methoxyphenyl)-2-chloroethyl]-methylamino]ethanol?
2-[[2-(5-tert-butyl-2-methoxyphenyl)-2-chloroethyl]-methylamino]ethanol has a molecular weight of 299.84 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-tert-butyl-2-methoxyphenyl)-2-chloroethyl]-methylamino]ethanol is sourced from PubChem (CID 82215489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).