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

C10H13ClFNO — CID 117310356

IUPAC1-(5-chloro-2-fluoro-3-methoxyphenyl)propan-2-amine
SMILESCOc1cc(Cl)cc(CC(C)N)c1F
InChIInChI=1S/C10H13ClFNO/c1-6(13)3-7-4-8(11)5-9(14-2)10(7)12/h4-6H,3,13H2,1-2H3
InChIKeyWUKQHJJRTVKVPG-UHFFFAOYSA-N
MW217.67 g/mol
LogP2.38
Rot. Bonds3

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

1-(5-chloro-2-fluoro-3-methoxyphenyl)propan-2-amine (PubChem CID 117310356) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is 1-(5-chloro-2-fluoro-3-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-2-fluoro-3-methoxyphenyl)propan-2-amine
PubChem CID117310356
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name1-(5-chloro-2-fluoro-3-methoxyphenyl)propan-2-amine
SMILESCOc1cc(Cl)cc(CC(C)N)c1F
InChIInChI=1S/C10H13ClFNO/c1-6(13)3-7-4-8(11)5-9(14-2)10(7)12/h4-6H,3,13H2,1-2H3
InChIKeyWUKQHJJRTVKVPG-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-3-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]propan-2-amine
CID 104667037
1-(5-chloro-3-methoxy-2-propoxyphenyl)propan-2-amine
CID 104666968
1-(5-chloro-2-fluoro-4-methoxyphenyl)propan-2-amine;hydrochloride
CID 170894016
2-(5-chloro-2-fluoro-3-methoxyphenyl)acetonitrile
CID 84775470
1-(5-chloro-2-hexoxy-3-methoxyphenyl)propan-2-amine
CID 104667028
methyl 2-[2-(2-aminopropyl)-4-chloro-6-methoxyphenoxy]propanoate
CID 104667066
1-(4-chloro-2,6-dimethoxyphenyl)ethanamine
CID 130139712
1-(5-chloro-3-methoxy-2-phenylmethoxyphenyl)propan-2-amine
CID 104667048
1-(3-chloro-5-fluoro-2-methoxyphenyl)propan-2-amine
CID 83887889
1-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)propan-2-amine
CID 117372462
1-(5-chloro-3-methoxy-2-pent-3-ynoxyphenyl)propan-2-amine
CID 104808085
8-(5-chloro-2-fluoro-3-methoxyphenyl)-2-methyloctan-3-one
CID 176932042

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluoro-3-methoxyphenyl)propan-2-amine?
The IUPAC name of 1-(5-chloro-2-fluoro-3-methoxyphenyl)propan-2-amine (CID 117310356) is 1-(5-chloro-2-fluoro-3-methoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(5-chloro-2-fluoro-3-methoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(5-chloro-2-fluoro-3-methoxyphenyl)propan-2-amine is COc1cc(Cl)cc(CC(C)N)c1F.
What is the InChIKey of 1-(5-chloro-2-fluoro-3-methoxyphenyl)propan-2-amine?
The InChIKey is WUKQHJJRTVKVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO/c1-6(13)3-7-4-8(11)5-9(14-2)10(7)12/h4-6H,3,13H2,1-2H3.
What are the key properties of 1-(5-chloro-2-fluoro-3-methoxyphenyl)propan-2-amine?
1-(5-chloro-2-fluoro-3-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-(5-chloro-2-fluoro-3-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 117310356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).