2-(4-chloro-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylethanamine

C17H19ClFNO — CID 106792155

IUPAC2-(4-chloro-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Cl)cc1F)c1ccc(C)cc1OC
InChIInChI=1S/C17H19ClFNO/c1-11-4-7-14(17(8-11)21-3)16(20-2)9-12-5-6-13(18)10-15(12)19/h4-8,10,16,20H,9H2,1-3H3
InChIKeyPYDCSVQLERRBPK-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.30
Rot. Bonds5

About 2-(4-chloro-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylethanamine

2-(4-chloro-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylethanamine (PubChem CID 106792155) has the molecular formula C17H19ClFNO and a molecular weight of 307.80 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylethanamine
PubChem CID106792155
Molecular FormulaC17H19ClFNO
Molecular Weight307.80 g/mol
Exact Mass307.11
IUPAC Name2-(4-chloro-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Cl)cc1F)c1ccc(C)cc1OC
InChIInChI=1S/C17H19ClFNO/c1-11-4-7-14(17(8-11)21-3)16(20-2)9-12-5-6-13(18)10-15(12)19/h4-8,10,16,20H,9H2,1-3H3
InChIKeyPYDCSVQLERRBPK-UHFFFAOYSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylethanamine
CID 106792000
2-(4-chloro-3-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylethanamine
CID 107885300
1-(4-chloro-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylmethanamine
CID 106791779
2-(2-chloro-4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 63033863
2-(2-chloro-4-methylphenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 106867237
1-(4-chloro-2-fluorophenyl)-2-(2,4-difluorophenyl)-N-methylethanamine
CID 63081771
2-(4-bromo-2-chlorophenyl)-1-(4-chloro-2-methoxyphenyl)-N-methylethanamine
CID 105037702
2-(5-chloro-2-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine
CID 103052743
[2-(2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethyl]hydrazine
CID 106794033
2-(2-bromophenyl)-1-(4-chloro-2-methoxyphenyl)-N-methylethanamine
CID 115786880
1-(2-chloro-3-fluorophenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 115826207
2-(4-chloro-2-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylethanamine
CID 105055308

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylethanamine?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylethanamine (CID 106792155) is 2-(4-chloro-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylethanamine is CNC(Cc1ccc(Cl)cc1F)c1ccc(C)cc1OC.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylethanamine?
The InChIKey is PYDCSVQLERRBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO/c1-11-4-7-14(17(8-11)21-3)16(20-2)9-12-5-6-13(18)10-15(12)19/h4-8,10,16,20H,9H2,1-3H3.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylethanamine?
2-(4-chloro-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylethanamine has a molecular weight of 307.80 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 106792155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).