2-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]ethanamine

C10H12ClF2NO2 — CID 60906197

IUPAC2-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]ethanamine
SMILESCOc1cc(CCN)cc(Cl)c1OC(F)F
InChIInChI=1S/C10H12ClF2NO2/c1-15-8-5-6(2-3-14)4-7(11)9(8)16-10(12)13/h4-5,10H,2-3,14H2,1H3
InChIKeyDQXGRUDBHZKJRC-UHFFFAOYSA-N
MW251.66 g/mol
LogP2.45
Rot. Bonds5

About 2-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]ethanamine

2-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]ethanamine (PubChem CID 60906197) has the molecular formula C10H12ClF2NO2 and a molecular weight of 251.66 g/mol. Its IUPAC name is 2-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]ethanamine.

Molecular Properties

Compound Name2-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]ethanamine
PubChem CID60906197
Molecular FormulaC10H12ClF2NO2
Molecular Weight251.66 g/mol
Exact Mass251.05
IUPAC Name2-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]ethanamine
SMILESCOc1cc(CCN)cc(Cl)c1OC(F)F
InChIInChI=1S/C10H12ClF2NO2/c1-15-8-5-6(2-3-14)4-7(11)9(8)16-10(12)13/h4-5,10H,2-3,14H2,1H3
InChIKeyDQXGRUDBHZKJRC-UHFFFAOYSA-N
XLogP2.45
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.66
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]ethanamine;hydrochloride
CID 146049973
3-(3-chloro-4,5-dimethoxyphenyl)propan-1-amine
CID 82161696
2-[3-chloro-5-methoxy-4-(2-methylpentoxy)phenyl]ethanamine
CID 55055676
methyl 2-[4-(2-aminoethyl)-2-chloro-6-methoxyphenoxy]acetate
CID 54931047
2-[3-chloro-5-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]ethanamine
CID 22683993
2-[3-chloro-5-methoxy-4-(2-phenylethoxy)phenyl]ethanamine
CID 20986329
[3,5-dichloro-4-(difluoromethoxy)phenyl]methanamine
CID 121228247
2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethanamine
CID 54930550
[3-bromo-4-(difluoromethoxy)-5-methoxyphenyl]methanamine
CID 43622273
2-[4-[2-(4-tert-butylphenoxy)ethoxy]-3-chloro-5-methoxyphenyl]ethanamine
CID 20985649
2-[3-chloro-5-methoxy-4-[2-(4-propylphenoxy)ethoxy]phenyl]ethanamine
CID 22687055
[7-[[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanamine
CID 167835590

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]ethanamine?
The IUPAC name of 2-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]ethanamine (CID 60906197) is 2-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]ethanamine.
What is the SMILES notation for 2-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]ethanamine?
The canonical SMILES for 2-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]ethanamine is COc1cc(CCN)cc(Cl)c1OC(F)F.
What is the InChIKey of 2-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]ethanamine?
The InChIKey is DQXGRUDBHZKJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF2NO2/c1-15-8-5-6(2-3-14)4-7(11)9(8)16-10(12)13/h4-5,10H,2-3,14H2,1H3.
What are the key properties of 2-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]ethanamine?
2-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]ethanamine has a molecular weight of 251.66 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]ethanamine is sourced from PubChem (CID 60906197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).