2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethanamine

C10H13ClFNO — CID 117310384

IUPAC2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethanamine
SMILESCOCc1cc(Cl)c(F)c(CCN)c1
InChIInChI=1S/C10H13ClFNO/c1-14-6-7-4-8(2-3-13)10(12)9(11)5-7/h4-5H,2-3,6,13H2,1H3
InChIKeyDGKRJWHAAUYSIN-UHFFFAOYSA-N
MW217.67 g/mol
LogP2.13
Rot. Bonds4

About 2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethanamine

2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethanamine (PubChem CID 117310384) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is 2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethanamine
PubChem CID117310384
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethanamine
SMILESCOCc1cc(Cl)c(F)c(CCN)c1
InChIInChI=1S/C10H13ClFNO/c1-14-6-7-4-8(2-3-13)10(12)9(11)5-7/h4-5H,2-3,6,13H2,1H3
InChIKeyDGKRJWHAAUYSIN-UHFFFAOYSA-N
XLogP2.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.67
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[3-chloro-2-fluoro-5-(methoxymethyl)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

4-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]butan-1-amine
CID 117366823
O-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethyl]hydroxylamine
CID 117339599
3-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]propan-1-ol
CID 117337281
4-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]butanoic acid
CID 117406092
1-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethyl]piperazine
CID 117462551
2-(3-chloro-4,5-difluorophenyl)ethanamine
CID 117282784
[1-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]cyclopropyl]methanamine
CID 117361412
2-[3-chloro-5-(ethoxymethyl)-2-methoxyphenyl]ethanamine
CID 170888160
4-[5-chloro-2-fluoro-3-(methoxymethyl)phenyl]butan-1-amine
CID 117366824
2-[2-fluoro-3-(methoxymethyl)phenyl]ethanamine
CID 117279565
2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]-2-oxoacetic acid
CID 117369028
2-[3-fluoro-4-methoxy-5-(methoxymethyl)phenyl]ethanamine
CID 83886037

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethanamine?
The IUPAC name of 2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethanamine (CID 117310384) is 2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethanamine.
What is the SMILES notation for 2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethanamine?
The canonical SMILES for 2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethanamine is COCc1cc(Cl)c(F)c(CCN)c1.
What is the InChIKey of 2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethanamine?
The InChIKey is DGKRJWHAAUYSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO/c1-14-6-7-4-8(2-3-13)10(12)9(11)5-7/h4-5H,2-3,6,13H2,1H3.
What are the key properties of 2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethanamine?
2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethanamine has a molecular weight of 217.67 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethanamine is sourced from PubChem (CID 117310384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).