2-(5-tert-butyl-3-chloro-2-methoxyphenyl)ethanamine

C13H20ClNO — CID 83899229

IUPAC2-(5-tert-butyl-3-chloro-2-methoxyphenyl)ethanamine
SMILESCOc1c(Cl)cc(C(C)(C)C)cc1CCN
InChIInChI=1S/C13H20ClNO/c1-13(2,3)10-7-9(5-6-15)12(16-4)11(14)8-10/h7-8H,5-6,15H2,1-4H3
InChIKeyCYXBJPYOXQBGCG-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.15
Rot. Bonds3

About 2-(5-tert-butyl-3-chloro-2-methoxyphenyl)ethanamine

2-(5-tert-butyl-3-chloro-2-methoxyphenyl)ethanamine (PubChem CID 83899229) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 2-(5-tert-butyl-3-chloro-2-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(5-tert-butyl-3-chloro-2-methoxyphenyl)ethanamine
PubChem CID83899229
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name2-(5-tert-butyl-3-chloro-2-methoxyphenyl)ethanamine
SMILESCOc1c(Cl)cc(C(C)(C)C)cc1CCN
InChIInChI=1S/C13H20ClNO/c1-13(2,3)10-7-9(5-6-15)12(16-4)11(14)8-10/h7-8H,5-6,15H2,1-4H3
InChIKeyCYXBJPYOXQBGCG-UHFFFAOYSA-N
XLogP3.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-chloro-2-methoxy-5-(2-methylbutan-2-yl)phenyl]ethanamine
CID 170888180
2-[3-chloro-2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]ethanamine
CID 170888183
3-[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]propan-1-amine
CID 117422606
1-(5-tert-butyl-3-chloro-2-methoxyphenyl)-N-methoxymethanamine
CID 117398158
2-[3-chloro-5-(ethoxymethyl)-2-methoxyphenyl]ethanamine
CID 170888160
1,5-ditert-butyl-3-chloro-2-methoxybenzene
CID 154097245
2-(3-aminopropyl)-4-tert-butyl-6-chlorophenol
CID 12868880
3-(3-chloro-5-fluoro-2-methoxyphenyl)propan-1-amine
CID 83887887
2-(3-bromo-5-chloro-2-methoxy-4-methylphenyl)ethanamine;hydrochloride
CID 88540322
1-[3-chloro-2-methoxy-5-(2-methylbutan-2-yl)phenyl]propan-2-amine;hydrochloride
CID 170894041
2-[5-(2-chlorophenyl)-2,3-dimethoxyphenyl]ethanamine
CID 82039087
N'-[2-(3,5-dichloro-2-methoxyphenyl)ethyl]methanediamine
CID 115226065

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-3-chloro-2-methoxyphenyl)ethanamine?
The IUPAC name of 2-(5-tert-butyl-3-chloro-2-methoxyphenyl)ethanamine (CID 83899229) is 2-(5-tert-butyl-3-chloro-2-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(5-tert-butyl-3-chloro-2-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(5-tert-butyl-3-chloro-2-methoxyphenyl)ethanamine is COc1c(Cl)cc(C(C)(C)C)cc1CCN.
What is the InChIKey of 2-(5-tert-butyl-3-chloro-2-methoxyphenyl)ethanamine?
The InChIKey is CYXBJPYOXQBGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-13(2,3)10-7-9(5-6-15)12(16-4)11(14)8-10/h7-8H,5-6,15H2,1-4H3.
What are the key properties of 2-(5-tert-butyl-3-chloro-2-methoxyphenyl)ethanamine?
2-(5-tert-butyl-3-chloro-2-methoxyphenyl)ethanamine has a molecular weight of 241.76 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-3-chloro-2-methoxyphenyl)ethanamine is sourced from PubChem (CID 83899229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).