1-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)-N-methylmethanamine

C10H13ClFNO2 — CID 84697228

IUPAC1-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)-N-methylmethanamine
SMILESCNCc1c(Cl)c(F)cc(OC)c1OC
InChIInChI=1S/C10H13ClFNO2/c1-13-5-6-9(11)7(12)4-8(14-2)10(6)15-3/h4,13H,5H2,1-3H3
InChIKeySBKOTOQQIFDODQ-UHFFFAOYSA-N
MW233.67 g/mol
LogP2.22
Rot. Bonds4

About 1-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)-N-methylmethanamine

1-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)-N-methylmethanamine (PubChem CID 84697228) has the molecular formula C10H13ClFNO2 and a molecular weight of 233.67 g/mol. Its IUPAC name is 1-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)-N-methylmethanamine
PubChem CID84697228
Molecular FormulaC10H13ClFNO2
Molecular Weight233.67 g/mol
Exact Mass233.06
IUPAC Name1-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)-N-methylmethanamine
SMILESCNCc1c(Cl)c(F)cc(OC)c1OC
InChIInChI=1S/C10H13ClFNO2/c1-13-5-6-9(11)7(12)4-8(14-2)10(6)15-3/h4,13H,5H2,1-3H3
InChIKeySBKOTOQQIFDODQ-UHFFFAOYSA-N
XLogP2.22
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.67
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dichloro-3-fluoro-6-methoxyphenyl)-N-methylmethanamine
CID 83897923
4-chloro-3,5-dimethoxy-2-(methylaminomethyl)phenol
CID 84795051
3-chloro-4-fluoro-6-methoxy-2-[2-(methylamino)ethyl]phenol
CID 117339653
1-(5-chloro-2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 84671954
2-(2-chloro-3,5,6-trimethoxyphenyl)acetonitrile
CID 117356095
3,4,5-trimethoxy-2-(methylaminomethyl)benzenethiol
CID 59270323
N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
CID 521855
3-fluoro-5-methoxy-4-(methylaminomethyl)phenol
CID 84769612
2-amino-1-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)ethanone
CID 84706246
2-(2-chloro-3,4,6-trimethoxyphenyl)-N-methylethanamine
CID 117403574
2-(2-chloro-3-fluoro-6-methoxyphenyl)acetonitrile
CID 130889587
2-(2,3-difluoro-5,6-dimethoxyphenyl)acetic acid
CID 117335777

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)-N-methylmethanamine (CID 84697228) is 1-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)-N-methylmethanamine is CNCc1c(Cl)c(F)cc(OC)c1OC.
What is the InChIKey of 1-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)-N-methylmethanamine?
The InChIKey is SBKOTOQQIFDODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO2/c1-13-5-6-9(11)7(12)4-8(14-2)10(6)15-3/h4,13H,5H2,1-3H3.
What are the key properties of 1-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)-N-methylmethanamine?
1-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)-N-methylmethanamine has a molecular weight of 233.67 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 84697228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).