1-(3-chloro-5-fluoro-4-methoxyphenyl)-N-methylmethanamine

C9H11ClFNO — CID 23147735

IUPAC1-(3-chloro-5-fluoro-4-methoxyphenyl)-N-methylmethanamine
SMILESCNCc1cc(F)c(OC)c(Cl)c1
InChIInChI=1S/C9H11ClFNO/c1-12-5-6-3-7(10)9(13-2)8(11)4-6/h3-4,12H,5H2,1-2H3
InChIKeyJHLQJWRUTGDLRJ-UHFFFAOYSA-N
MW203.64 g/mol
LogP2.21
Rot. Bonds3

About 1-(3-chloro-5-fluoro-4-methoxyphenyl)-N-methylmethanamine

1-(3-chloro-5-fluoro-4-methoxyphenyl)-N-methylmethanamine (PubChem CID 23147735) has the molecular formula C9H11ClFNO and a molecular weight of 203.64 g/mol. Its IUPAC name is 1-(3-chloro-5-fluoro-4-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chloro-5-fluoro-4-methoxyphenyl)-N-methylmethanamine
PubChem CID23147735
Molecular FormulaC9H11ClFNO
Molecular Weight203.64 g/mol
Exact Mass203.05
IUPAC Name1-(3-chloro-5-fluoro-4-methoxyphenyl)-N-methylmethanamine
SMILESCNCc1cc(F)c(OC)c(Cl)c1
InChIInChI=1S/C9H11ClFNO/c1-12-5-6-3-7(10)9(13-2)8(11)4-6/h3-4,12H,5H2,1-2H3
InChIKeyJHLQJWRUTGDLRJ-UHFFFAOYSA-N
XLogP2.21
TPSA21.26 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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-fluoro-4-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-chloro-5-fluoro-4-methoxyphenyl)-N-methylmethanamine (CID 23147735) is 1-(3-chloro-5-fluoro-4-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-chloro-5-fluoro-4-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-chloro-5-fluoro-4-methoxyphenyl)-N-methylmethanamine is CNCc1cc(F)c(OC)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-5-fluoro-4-methoxyphenyl)-N-methylmethanamine?
The InChIKey is JHLQJWRUTGDLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO/c1-12-5-6-3-7(10)9(13-2)8(11)4-6/h3-4,12H,5H2,1-2H3.
What are the key properties of 1-(3-chloro-5-fluoro-4-methoxyphenyl)-N-methylmethanamine?
1-(3-chloro-5-fluoro-4-methoxyphenyl)-N-methylmethanamine has a molecular weight of 203.64 g/mol, XLogP of 2.21, 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-4-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 23147735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).