2-[5-chloro-2-(2-methylpropoxy)phenyl]ethanamine

C12H18ClNO — CID 60905190

IUPAC2-[5-chloro-2-(2-methylpropoxy)phenyl]ethanamine
SMILESCC(C)COc1ccc(Cl)cc1CCN
InChIInChI=1S/C12H18ClNO/c1-9(2)8-15-12-4-3-11(13)7-10(12)5-6-14/h3-4,7,9H,5-6,8,14H2,1-2H3
InChIKeyNRHSXLWTEHFYLY-UHFFFAOYSA-N
MW227.73 g/mol
LogP2.88
Rot. Bonds5

About 2-[5-chloro-2-(2-methylpropoxy)phenyl]ethanamine

2-[5-chloro-2-(2-methylpropoxy)phenyl]ethanamine (PubChem CID 60905190) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is 2-[5-chloro-2-(2-methylpropoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-chloro-2-(2-methylpropoxy)phenyl]ethanamine
PubChem CID60905190
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name2-[5-chloro-2-(2-methylpropoxy)phenyl]ethanamine
SMILESCC(C)COc1ccc(Cl)cc1CCN
InChIInChI=1S/C12H18ClNO/c1-9(2)8-15-12-4-3-11(13)7-10(12)5-6-14/h3-4,7,9H,5-6,8,14H2,1-2H3
InChIKeyNRHSXLWTEHFYLY-UHFFFAOYSA-N
XLogP2.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[5-chloro-2-(2-methylpropoxy)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-(bromomethyl)-4-chloro-1-(2-methylpropoxy)benzene
CID 43142000
2-[5-chloro-2-(ethoxymethoxy)phenyl]ethanamine
CID 65369658
2-[5-chloro-2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine
CID 20989901
2-[5-chloro-2-(2-ethoxyethoxy)phenyl]ethanamine
CID 60906110
5-chloro-2-(2-methylpropoxy)phenol
CID 59319916
2-[5-chloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
CID 103411486
3-(5-chloro-2-propan-2-yloxyphenyl)propan-1-amine
CID 82263394
2-[5-chloro-2-(4-ethoxyphenoxy)phenyl]ethanamine
CID 114862746
1-[5-chloro-2-(2-methylbutoxy)phenyl]propan-2-amine
CID 62105520
3-ethyl-4-(2-methylpropoxy)aniline
CID 146676297
[4-chloro-2-(2-methylpropoxy)phenyl]boronic acid
CID 53216479
2-[5-chloro-2-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanamine
CID 114863207

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(2-methylpropoxy)phenyl]ethanamine?
The IUPAC name of 2-[5-chloro-2-(2-methylpropoxy)phenyl]ethanamine (CID 60905190) is 2-[5-chloro-2-(2-methylpropoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[5-chloro-2-(2-methylpropoxy)phenyl]ethanamine?
The canonical SMILES for 2-[5-chloro-2-(2-methylpropoxy)phenyl]ethanamine is CC(C)COc1ccc(Cl)cc1CCN.
What is the InChIKey of 2-[5-chloro-2-(2-methylpropoxy)phenyl]ethanamine?
The InChIKey is NRHSXLWTEHFYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-9(2)8-15-12-4-3-11(13)7-10(12)5-6-14/h3-4,7,9H,5-6,8,14H2,1-2H3.
What are the key properties of 2-[5-chloro-2-(2-methylpropoxy)phenyl]ethanamine?
2-[5-chloro-2-(2-methylpropoxy)phenyl]ethanamine has a molecular weight of 227.73 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(2-methylpropoxy)phenyl]ethanamine is sourced from PubChem (CID 60905190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).