2-[3-chloro-2-methoxy-5-(2-methylbutan-2-yl)phenyl]ethanamine

C14H22ClNO — CID 170888180

IUPAC2-[3-chloro-2-methoxy-5-(2-methylbutan-2-yl)phenyl]ethanamine
SMILESCCC(C)(C)c1cc(Cl)c(OC)c(CCN)c1
InChIInChI=1S/C14H22ClNO/c1-5-14(2,3)11-8-10(6-7-16)13(17-4)12(15)9-11/h8-9H,5-7,16H2,1-4H3
InChIKeyHGRZOEQUVJPOTF-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.54
Rot. Bonds5

About 2-[3-chloro-2-methoxy-5-(2-methylbutan-2-yl)phenyl]ethanamine

2-[3-chloro-2-methoxy-5-(2-methylbutan-2-yl)phenyl]ethanamine (PubChem CID 170888180) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 2-[3-chloro-2-methoxy-5-(2-methylbutan-2-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-chloro-2-methoxy-5-(2-methylbutan-2-yl)phenyl]ethanamine
PubChem CID170888180
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name2-[3-chloro-2-methoxy-5-(2-methylbutan-2-yl)phenyl]ethanamine
SMILESCCC(C)(C)c1cc(Cl)c(OC)c(CCN)c1
InChIInChI=1S/C14H22ClNO/c1-5-14(2,3)11-8-10(6-7-16)13(17-4)12(15)9-11/h8-9H,5-7,16H2,1-4H3
InChIKeyHGRZOEQUVJPOTF-UHFFFAOYSA-N
XLogP3.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[3-chloro-2-methoxy-5-(2-methylbutan-2-yl)phenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-tert-butyl-3-chloro-2-methoxyphenyl)ethanamine
CID 83899229
2-[3-chloro-2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]ethanamine
CID 170888183
1-[3-chloro-2-methoxy-5-(2-methylbutan-2-yl)phenyl]propan-2-amine;hydrochloride
CID 170894041
3-[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]propan-1-amine
CID 117422606
2-[3-chloro-5-(ethoxymethyl)-2-methoxyphenyl]ethanamine
CID 170888160
1,3-difluoro-2-methoxy-5-(2-methylbutan-2-yl)benzene
CID 146480194
2-(3-bromo-5-chloro-2-methoxy-4-methylphenyl)ethanamine;hydrochloride
CID 88540322
2-(2-chloro-5-methoxyphenyl)ethanamine;hydrochloride
CID 11687211
3-(3-chloro-5-fluoro-2-methoxyphenyl)propan-1-amine
CID 83887887
1-(5-tert-butyl-3-chloro-2-methoxyphenyl)-N-methoxymethanamine
CID 117398158
1-(3-chloro-5-ethyl-2-methoxyphenyl)-2-methylpropan-2-amine
CID 117356702
2-[5-(2-chlorophenyl)-2,3-dimethoxyphenyl]ethanamine
CID 82039087

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-methoxy-5-(2-methylbutan-2-yl)phenyl]ethanamine?
The IUPAC name of 2-[3-chloro-2-methoxy-5-(2-methylbutan-2-yl)phenyl]ethanamine (CID 170888180) is 2-[3-chloro-2-methoxy-5-(2-methylbutan-2-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[3-chloro-2-methoxy-5-(2-methylbutan-2-yl)phenyl]ethanamine?
The canonical SMILES for 2-[3-chloro-2-methoxy-5-(2-methylbutan-2-yl)phenyl]ethanamine is CCC(C)(C)c1cc(Cl)c(OC)c(CCN)c1.
What is the InChIKey of 2-[3-chloro-2-methoxy-5-(2-methylbutan-2-yl)phenyl]ethanamine?
The InChIKey is HGRZOEQUVJPOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-5-14(2,3)11-8-10(6-7-16)13(17-4)12(15)9-11/h8-9H,5-7,16H2,1-4H3.
What are the key properties of 2-[3-chloro-2-methoxy-5-(2-methylbutan-2-yl)phenyl]ethanamine?
2-[3-chloro-2-methoxy-5-(2-methylbutan-2-yl)phenyl]ethanamine has a molecular weight of 255.79 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-methoxy-5-(2-methylbutan-2-yl)phenyl]ethanamine is sourced from PubChem (CID 170888180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).