3-chloro-4-fluoro-6-methoxy-2-[2-(methylamino)ethyl]phenol

C10H13ClFNO2 — CID 117339653

IUPAC3-chloro-4-fluoro-6-methoxy-2-[2-(methylamino)ethyl]phenol
SMILESCNCCc1c(O)c(OC)cc(F)c1Cl
InChIInChI=1S/C10H13ClFNO2/c1-13-4-3-6-9(11)7(12)5-8(15-2)10(6)14/h5,13-14H,3-4H2,1-2H3
InChIKeyBJRQWGGQOTZNSM-UHFFFAOYSA-N
MW233.67 g/mol
LogP1.96
Rot. Bonds4

About 3-chloro-4-fluoro-6-methoxy-2-[2-(methylamino)ethyl]phenol

3-chloro-4-fluoro-6-methoxy-2-[2-(methylamino)ethyl]phenol (PubChem CID 117339653) has the molecular formula C10H13ClFNO2 and a molecular weight of 233.67 g/mol. Its IUPAC name is 3-chloro-4-fluoro-6-methoxy-2-[2-(methylamino)ethyl]phenol.

Molecular Properties

Compound Name3-chloro-4-fluoro-6-methoxy-2-[2-(methylamino)ethyl]phenol
PubChem CID117339653
Molecular FormulaC10H13ClFNO2
Molecular Weight233.67 g/mol
Exact Mass233.06
IUPAC Name3-chloro-4-fluoro-6-methoxy-2-[2-(methylamino)ethyl]phenol
SMILESCNCCc1c(O)c(OC)cc(F)c1Cl
InChIInChI=1S/C10H13ClFNO2/c1-13-4-3-6-9(11)7(12)5-8(15-2)10(6)14/h5,13-14H,3-4H2,1-2H3
InChIKeyBJRQWGGQOTZNSM-UHFFFAOYSA-N
XLogP1.96
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.67
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminoethyl)-3-chloro-4-fluoro-6-methoxyphenol
CID 117313606
4-(2-chloro-3-fluoro-6-hydroxy-5-methoxyphenyl)butanoic acid
CID 117411352
2,6-difluoro-3-methoxy-5-[2-(methylamino)ethyl]phenol
CID 117309032
1-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)-N-methylmethanamine
CID 84697228
2-(2-chloro-3,4,6-trimethoxyphenyl)-N-methylethanamine
CID 117403574
6-methoxy-2,3-dimethyl-4-[2-(methylamino)ethyl]phenol
CID 117299082
2-(5-bromo-2-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 84710711
3,4,6-trifluoro-2-[2-(methylamino)ethyl]phenol
CID 117293117
3-ethyl-6-methoxy-2-[2-(methylamino)ethyl]phenol
CID 117299094
2-chloro-3-fluoro-6-hydroxy-5-methoxybenzoic acid
CID 117314957
4-methoxy-2,3-dimethyl-6-[2-(methylamino)ethyl]phenol
CID 117299085
2-(5-fluoro-2-methoxy-4-methylphenyl)-N-methylethanamine
CID 84667680

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-6-methoxy-2-[2-(methylamino)ethyl]phenol?
The IUPAC name of 3-chloro-4-fluoro-6-methoxy-2-[2-(methylamino)ethyl]phenol (CID 117339653) is 3-chloro-4-fluoro-6-methoxy-2-[2-(methylamino)ethyl]phenol.
What is the SMILES notation for 3-chloro-4-fluoro-6-methoxy-2-[2-(methylamino)ethyl]phenol?
The canonical SMILES for 3-chloro-4-fluoro-6-methoxy-2-[2-(methylamino)ethyl]phenol is CNCCc1c(O)c(OC)cc(F)c1Cl.
What is the InChIKey of 3-chloro-4-fluoro-6-methoxy-2-[2-(methylamino)ethyl]phenol?
The InChIKey is BJRQWGGQOTZNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO2/c1-13-4-3-6-9(11)7(12)5-8(15-2)10(6)14/h5,13-14H,3-4H2,1-2H3.
What are the key properties of 3-chloro-4-fluoro-6-methoxy-2-[2-(methylamino)ethyl]phenol?
3-chloro-4-fluoro-6-methoxy-2-[2-(methylamino)ethyl]phenol has a molecular weight of 233.67 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-6-methoxy-2-[2-(methylamino)ethyl]phenol is sourced from PubChem (CID 117339653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).