2-(4-chloro-5-fluoro-2-methoxyphenyl)ethanamine

C9H11ClFNO — CID 83881713

IUPAC2-(4-chloro-5-fluoro-2-methoxyphenyl)ethanamine
SMILESCOc1cc(Cl)c(F)cc1CCN
InChIInChI=1S/C9H11ClFNO/c1-13-9-5-7(10)8(11)4-6(9)2-3-12/h4-5H,2-3,12H2,1H3
InChIKeyQYJIEGNQTZHBOF-UHFFFAOYSA-N
MW203.64 g/mol
LogP1.99
Rot. Bonds3

About 2-(4-chloro-5-fluoro-2-methoxyphenyl)ethanamine

2-(4-chloro-5-fluoro-2-methoxyphenyl)ethanamine (PubChem CID 83881713) has the molecular formula C9H11ClFNO and a molecular weight of 203.64 g/mol. Its IUPAC name is 2-(4-chloro-5-fluoro-2-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-5-fluoro-2-methoxyphenyl)ethanamine
PubChem CID83881713
Molecular FormulaC9H11ClFNO
Molecular Weight203.64 g/mol
Exact Mass203.05
IUPAC Name2-(4-chloro-5-fluoro-2-methoxyphenyl)ethanamine
SMILESCOc1cc(Cl)c(F)cc1CCN
InChIInChI=1S/C9H11ClFNO/c1-13-9-5-7(10)8(11)4-6(9)2-3-12/h4-5H,2-3,12H2,1H3
InChIKeyQYJIEGNQTZHBOF-UHFFFAOYSA-N
XLogP1.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.64
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-chloro-5-fluoro-2-methoxyphenyl)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-fluoro-2-methoxy-4-methylphenyl)ethanamine
CID 55254656
2-(4-fluoro-3,6-dimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)ethanamine
CID 71493307
2-(4-chloro-5-fluoro-2-methoxyphenyl)acetonitrile
CID 171007005
1-chloro-2,4-difluoro-5-methoxybenzene
CID 124706419
2,5-bis(2-aminoethyl)-4-methoxyphenol
CID 117274744
2-(4-fluoro-2-methoxyphenyl)ethanamine
CID 55254856
2-(4-chloro-5-methoxy-2-methylphenyl)ethanamine
CID 59994499
2-[2,5-dimethoxy-4-(2,2,2-trifluoroethyl)phenyl]ethanamine
CID 57498513
2-[4-(2,2-difluoroethylsulfanyl)-2,5-dimethoxyphenyl]ethanamine
CID 12063258
2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]ethanamine
CID 117327151
2-(2-chloro-4,5-difluorophenyl)ethanamine;hydrochloride
CID 86091425
2-[4-(2-fluoroethyldisulfanyl)-2,5-dimethoxyphenyl]ethanamine
CID 171534578

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-fluoro-2-methoxyphenyl)ethanamine?
The IUPAC name of 2-(4-chloro-5-fluoro-2-methoxyphenyl)ethanamine (CID 83881713) is 2-(4-chloro-5-fluoro-2-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(4-chloro-5-fluoro-2-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(4-chloro-5-fluoro-2-methoxyphenyl)ethanamine is COc1cc(Cl)c(F)cc1CCN.
What is the InChIKey of 2-(4-chloro-5-fluoro-2-methoxyphenyl)ethanamine?
The InChIKey is QYJIEGNQTZHBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO/c1-13-9-5-7(10)8(11)4-6(9)2-3-12/h4-5H,2-3,12H2,1H3.
What are the key properties of 2-(4-chloro-5-fluoro-2-methoxyphenyl)ethanamine?
2-(4-chloro-5-fluoro-2-methoxyphenyl)ethanamine has a molecular weight of 203.64 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-fluoro-2-methoxyphenyl)ethanamine is sourced from PubChem (CID 83881713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).