1-[3-chloro-2-(2-fluoroethoxy)phenyl]-N-methylmethanamine

C10H13ClFNO — CID 112608474

IUPAC1-[3-chloro-2-(2-fluoroethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cccc(Cl)c1OCCF
InChIInChI=1S/C10H13ClFNO/c1-13-7-8-3-2-4-9(11)10(8)14-6-5-12/h2-4,13H,5-7H2,1H3
InChIKeySJRLJJIAVKLHQI-UHFFFAOYSA-N
MW217.67 g/mol
LogP2.41
Rot. Bonds5

About 1-[3-chloro-2-(2-fluoroethoxy)phenyl]-N-methylmethanamine

1-[3-chloro-2-(2-fluoroethoxy)phenyl]-N-methylmethanamine (PubChem CID 112608474) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is 1-[3-chloro-2-(2-fluoroethoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-chloro-2-(2-fluoroethoxy)phenyl]-N-methylmethanamine
PubChem CID112608474
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name1-[3-chloro-2-(2-fluoroethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cccc(Cl)c1OCCF
InChIInChI=1S/C10H13ClFNO/c1-13-7-8-3-2-4-9(11)10(8)14-6-5-12/h2-4,13H,5-7H2,1H3
InChIKeySJRLJJIAVKLHQI-UHFFFAOYSA-N
XLogP2.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.67
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-ethoxyphenyl)-N-methylmethanamine
CID 58664109
1-[3-chloro-2-(3-methylbutoxy)phenyl]-N-methylmethanamine
CID 112608537
1-[3-chloro-2-(3-methylsulfonylpropoxy)phenyl]-N-methylmethanamine
CID 112608503
1-[3-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 112608649
1-[2-(2-bromoprop-2-enoxy)-3-chlorophenyl]-N-methylmethanamine
CID 112608720
1-[2-chloro-6-(methylaminomethyl)phenoxy]-2-phenylpropan-2-ol
CID 115952355
1-[3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 114345835
1-[3-chloro-2-(thiophen-3-ylmethoxy)phenyl]-N-methylmethanamine
CID 112608676
3-[[2-chloro-6-(methylaminomethyl)phenoxy]methyl]phenol
CID 112608572
ethyl 2-[2-chloro-6-(methylaminomethyl)phenoxy]acetate
CID 112608576
3-chloro-2-(2-fluoroethoxy)aniline
CID 107715740
2-[2-chloro-6-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 112608605

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-2-(2-fluoroethoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-chloro-2-(2-fluoroethoxy)phenyl]-N-methylmethanamine (CID 112608474) is 1-[3-chloro-2-(2-fluoroethoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-chloro-2-(2-fluoroethoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-chloro-2-(2-fluoroethoxy)phenyl]-N-methylmethanamine is CNCc1cccc(Cl)c1OCCF.
What is the InChIKey of 1-[3-chloro-2-(2-fluoroethoxy)phenyl]-N-methylmethanamine?
The InChIKey is SJRLJJIAVKLHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO/c1-13-7-8-3-2-4-9(11)10(8)14-6-5-12/h2-4,13H,5-7H2,1H3.
What are the key properties of 1-[3-chloro-2-(2-fluoroethoxy)phenyl]-N-methylmethanamine?
1-[3-chloro-2-(2-fluoroethoxy)phenyl]-N-methylmethanamine has a molecular weight of 217.67 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-2-(2-fluoroethoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 112608474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).