1-(5-chloro-3-fluoro-2-methoxyphenyl)-N-methylmethanamine

C9H11ClFNO — CID 23147805

IUPAC1-(5-chloro-3-fluoro-2-methoxyphenyl)-N-methylmethanamine
SMILESCNCc1cc(Cl)cc(F)c1OC
InChIInChI=1S/C9H11ClFNO/c1-12-5-6-3-7(10)4-8(11)9(6)13-2/h3-4,12H,5H2,1-2H3
InChIKeyBJNLOHLYFRRHND-UHFFFAOYSA-N
MW203.64 g/mol
LogP2.21
Rot. Bonds3

About 1-(5-chloro-3-fluoro-2-methoxyphenyl)-N-methylmethanamine

1-(5-chloro-3-fluoro-2-methoxyphenyl)-N-methylmethanamine (PubChem CID 23147805) has the molecular formula C9H11ClFNO and a molecular weight of 203.64 g/mol. Its IUPAC name is 1-(5-chloro-3-fluoro-2-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-chloro-3-fluoro-2-methoxyphenyl)-N-methylmethanamine
PubChem CID23147805
Molecular FormulaC9H11ClFNO
Molecular Weight203.64 g/mol
Exact Mass203.05
IUPAC Name1-(5-chloro-3-fluoro-2-methoxyphenyl)-N-methylmethanamine
SMILESCNCc1cc(Cl)cc(F)c1OC
InChIInChI=1S/C9H11ClFNO/c1-12-5-6-3-7(10)4-8(11)9(6)13-2/h3-4,12H,5H2,1-2H3
InChIKeyBJNLOHLYFRRHND-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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Related Compounds

CID 9861124
CID 9861124
CID 9965169
CID 9965169
CID 9965610
CID 9965610
CID 522302
CID 522302
CID 44562613
CID 44562613
CID 2979775
CID 2979775
CID 9814248
CID 9814248
CID 9834987
CID 9834987
CID 9835490
CID 9835490
CID 2959706
CID 2959706
CID 16189708
CID 16189708
CID 43282996
CID 43282996

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-3-fluoro-2-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(5-chloro-3-fluoro-2-methoxyphenyl)-N-methylmethanamine (CID 23147805) is 1-(5-chloro-3-fluoro-2-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-chloro-3-fluoro-2-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-chloro-3-fluoro-2-methoxyphenyl)-N-methylmethanamine is CNCc1cc(Cl)cc(F)c1OC.
What is the InChIKey of 1-(5-chloro-3-fluoro-2-methoxyphenyl)-N-methylmethanamine?
The InChIKey is BJNLOHLYFRRHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO/c1-12-5-6-3-7(10)4-8(11)9(6)13-2/h3-4,12H,5H2,1-2H3.
What are the key properties of 1-(5-chloro-3-fluoro-2-methoxyphenyl)-N-methylmethanamine?
1-(5-chloro-3-fluoro-2-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-(5-chloro-3-fluoro-2-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 23147805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).