1-(5-chloro-2-fluoro-4-methoxyphenyl)-N-methylmethanamine

C9H11ClFNO — CID 84671954

IUPAC1-(5-chloro-2-fluoro-4-methoxyphenyl)-N-methylmethanamine
SMILESCNCc1cc(Cl)c(OC)cc1F
InChIInChI=1S/C9H11ClFNO/c1-12-5-6-3-7(10)9(13-2)4-8(6)11/h3-4,12H,5H2,1-2H3
InChIKeyFBLLJBQNVBITPW-UHFFFAOYSA-N
MW203.64 g/mol
LogP2.21
Rot. Bonds3

About 1-(5-chloro-2-fluoro-4-methoxyphenyl)-N-methylmethanamine

1-(5-chloro-2-fluoro-4-methoxyphenyl)-N-methylmethanamine (PubChem CID 84671954) has the molecular formula C9H11ClFNO and a molecular weight of 203.64 g/mol. Its IUPAC name is 1-(5-chloro-2-fluoro-4-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-chloro-2-fluoro-4-methoxyphenyl)-N-methylmethanamine
PubChem CID84671954
Molecular FormulaC9H11ClFNO
Molecular Weight203.64 g/mol
Exact Mass203.05
IUPAC Name1-(5-chloro-2-fluoro-4-methoxyphenyl)-N-methylmethanamine
SMILESCNCc1cc(Cl)c(OC)cc1F
InChIInChI=1S/C9H11ClFNO/c1-12-5-6-3-7(10)9(13-2)4-8(6)11/h3-4,12H,5H2,1-2H3
InChIKeyFBLLJBQNVBITPW-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

1-(5-chloro-2,4-difluorophenyl)-N-methylmethanamine
CID 70310877
2-(5-chloro-2-fluoro-4-methoxyphenyl)acetic acid
CID 56840543
1-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine
CID 117331427
1-(5-chloro-2-fluoro-4-methoxyphenyl)propan-2-amine;hydrochloride
CID 170894016
4-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]piperidine
CID 117398047
1-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)-N-methylmethanamine
CID 84697228
N'-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-N-methylmethanediamine
CID 89373836
3-(5-chloro-2-fluoro-4-methoxyphenyl)-2,2-dimethylpropanoic acid
CID 117406133
5-chloro-2-fluoro-4-methoxyphenol
CID 84655771
(2,5-difluoro-4-methoxyphenyl)methylhydrazine
CID 116932362
1-[5-(4-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine
CID 54911684
(5-chloro-2-fluoro-4-methoxyphenyl) thiohypochlorite
CID 172620902

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluoro-4-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(5-chloro-2-fluoro-4-methoxyphenyl)-N-methylmethanamine (CID 84671954) is 1-(5-chloro-2-fluoro-4-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-chloro-2-fluoro-4-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-chloro-2-fluoro-4-methoxyphenyl)-N-methylmethanamine is CNCc1cc(Cl)c(OC)cc1F.
What is the InChIKey of 1-(5-chloro-2-fluoro-4-methoxyphenyl)-N-methylmethanamine?
The InChIKey is FBLLJBQNVBITPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO/c1-12-5-6-3-7(10)9(13-2)4-8(6)11/h3-4,12H,5H2,1-2H3.
What are the key properties of 1-(5-chloro-2-fluoro-4-methoxyphenyl)-N-methylmethanamine?
1-(5-chloro-2-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-(5-chloro-2-fluoro-4-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 84671954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).