1-(2,5-dichloro-3-fluoro-6-methoxyphenyl)-N-methylmethanamine

C9H10Cl2FNO — CID 83897923

IUPAC1-(2,5-dichloro-3-fluoro-6-methoxyphenyl)-N-methylmethanamine
SMILESCNCc1c(Cl)c(F)cc(Cl)c1OC
InChIInChI=1S/C9H10Cl2FNO/c1-13-4-5-8(11)7(12)3-6(10)9(5)14-2/h3,13H,4H2,1-2H3
InChIKeyXKUASBXEDSNFMC-UHFFFAOYSA-N
MW238.09 g/mol
LogP2.86
Rot. Bonds3

About 1-(2,5-dichloro-3-fluoro-6-methoxyphenyl)-N-methylmethanamine

1-(2,5-dichloro-3-fluoro-6-methoxyphenyl)-N-methylmethanamine (PubChem CID 83897923) has the molecular formula C9H10Cl2FNO and a molecular weight of 238.09 g/mol. Its IUPAC name is 1-(2,5-dichloro-3-fluoro-6-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,5-dichloro-3-fluoro-6-methoxyphenyl)-N-methylmethanamine
PubChem CID83897923
Molecular FormulaC9H10Cl2FNO
Molecular Weight238.09 g/mol
Exact Mass237.01
IUPAC Name1-(2,5-dichloro-3-fluoro-6-methoxyphenyl)-N-methylmethanamine
SMILESCNCc1c(Cl)c(F)cc(Cl)c1OC
InChIInChI=1S/C9H10Cl2FNO/c1-13-4-5-8(11)7(12)3-6(10)9(5)14-2/h3,13H,4H2,1-2H3
InChIKeyXKUASBXEDSNFMC-UHFFFAOYSA-N
XLogP2.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.09
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)-N-methylmethanamine
CID 84697228
4-(5-chloro-2,3-difluoro-6-methoxyphenyl)butan-1-amine
CID 117377894
N-[(5-chloro-2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine
CID 84787177
1-(5-chloro-2,3-difluoro-6-methoxyphenyl)propan-2-amine
CID 83896789
4-chloro-3,5-dimethoxy-2-(methylaminomethyl)phenol
CID 84795051
1-(3-chloro-4-methoxy-5-methylphenyl)-N-methylmethanamine
CID 83831691
3-bromo-5-fluoro-2-methoxy-6-(methylaminomethyl)phenol
CID 84711178
2-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)acetonitrile
CID 84783001
1-(5-chloro-2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 84671954
1-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-2-one
CID 84694021
3-chloro-4-fluoro-2-(methylaminomethyl)phenol
CID 83877302
3-chloro-5-fluoro-4-(methylaminomethyl)phenol
CID 84771305

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichloro-3-fluoro-6-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2,5-dichloro-3-fluoro-6-methoxyphenyl)-N-methylmethanamine (CID 83897923) is 1-(2,5-dichloro-3-fluoro-6-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,5-dichloro-3-fluoro-6-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,5-dichloro-3-fluoro-6-methoxyphenyl)-N-methylmethanamine is CNCc1c(Cl)c(F)cc(Cl)c1OC.
What is the InChIKey of 1-(2,5-dichloro-3-fluoro-6-methoxyphenyl)-N-methylmethanamine?
The InChIKey is XKUASBXEDSNFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2FNO/c1-13-4-5-8(11)7(12)3-6(10)9(5)14-2/h3,13H,4H2,1-2H3.
What are the key properties of 1-(2,5-dichloro-3-fluoro-6-methoxyphenyl)-N-methylmethanamine?
1-(2,5-dichloro-3-fluoro-6-methoxyphenyl)-N-methylmethanamine has a molecular weight of 238.09 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichloro-3-fluoro-6-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 83897923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).