1-(3-chloro-5-fluoro-2-methoxyphenyl)propan-2-amine

C10H13ClFNO — CID 83887889

IUPAC1-(3-chloro-5-fluoro-2-methoxyphenyl)propan-2-amine
SMILESCOc1c(Cl)cc(F)cc1CC(C)N
InChIInChI=1S/C10H13ClFNO/c1-6(13)3-7-4-8(12)5-9(11)10(7)14-2/h4-6H,3,13H2,1-2H3
InChIKeyRSONMYJELSJBAD-UHFFFAOYSA-N
MW217.67 g/mol
LogP2.38
Rot. Bonds3

About 1-(3-chloro-5-fluoro-2-methoxyphenyl)propan-2-amine

1-(3-chloro-5-fluoro-2-methoxyphenyl)propan-2-amine (PubChem CID 83887889) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is 1-(3-chloro-5-fluoro-2-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-5-fluoro-2-methoxyphenyl)propan-2-amine
PubChem CID83887889
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name1-(3-chloro-5-fluoro-2-methoxyphenyl)propan-2-amine
SMILESCOc1c(Cl)cc(F)cc1CC(C)N
InChIInChI=1S/C10H13ClFNO/c1-6(13)3-7-4-8(12)5-9(11)10(7)14-2/h4-6H,3,13H2,1-2H3
InChIKeyRSONMYJELSJBAD-UHFFFAOYSA-N
XLogP2.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.67
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)propan-2-amine
CID 117372462
1-(3-bromo-5-fluoro-2-methoxyphenyl)propan-2-amine
CID 83902061
1-(4-chloro-1-methoxynaphthalen-2-yl)propan-2-amine
CID 170891521
1-[3-chloro-2-methoxy-5-(2-methylbutan-2-yl)phenyl]propan-2-amine;hydrochloride
CID 170894041
1-(3-chloro-5-fluoro-4-methoxyphenyl)propan-2-amine
CID 117310361
3-(3-chloro-5-fluoro-2-methoxyphenyl)propan-1-amine
CID 83887887
1-(4-bromo-3-chloro-2,5-dimethoxyphenyl)propan-2-amine
CID 169028862
1-(5-chloro-2-fluoro-4-methoxyphenyl)propan-2-amine;hydrochloride
CID 170894016
1-(5-chloro-2,3-difluoro-6-methoxyphenyl)propan-2-amine
CID 83896789
1-(2-chloro-4-fluorophenyl)propan-2-amine
CID 62600100
1-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)propan-2-amine
CID 117324016
1-(3-chloro-2,5,6-trimethoxyphenyl)propan-2-amine
CID 117403670

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-fluoro-2-methoxyphenyl)propan-2-amine?
The IUPAC name of 1-(3-chloro-5-fluoro-2-methoxyphenyl)propan-2-amine (CID 83887889) is 1-(3-chloro-5-fluoro-2-methoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(3-chloro-5-fluoro-2-methoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(3-chloro-5-fluoro-2-methoxyphenyl)propan-2-amine is COc1c(Cl)cc(F)cc1CC(C)N.
What is the InChIKey of 1-(3-chloro-5-fluoro-2-methoxyphenyl)propan-2-amine?
The InChIKey is RSONMYJELSJBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO/c1-6(13)3-7-4-8(12)5-9(11)10(7)14-2/h4-6H,3,13H2,1-2H3.
What are the key properties of 1-(3-chloro-5-fluoro-2-methoxyphenyl)propan-2-amine?
1-(3-chloro-5-fluoro-2-methoxyphenyl)propan-2-amine has a molecular weight of 217.67 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-fluoro-2-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 83887889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).