2-(2-chloro-4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine

C17H19ClFNO — CID 63033863

IUPAC2-(2-chloro-4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1Cl)c1cc(C)ccc1OC
InChIInChI=1S/C17H19ClFNO/c1-11-4-7-17(21-3)14(8-11)16(20-2)9-12-5-6-13(19)10-15(12)18/h4-8,10,16,20H,9H2,1-3H3
InChIKeyCSQUEJXECHAWIB-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.30
Rot. Bonds5

About 2-(2-chloro-4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine

2-(2-chloro-4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine (PubChem CID 63033863) has the molecular formula C17H19ClFNO and a molecular weight of 307.80 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
PubChem CID63033863
Molecular FormulaC17H19ClFNO
Molecular Weight307.80 g/mol
Exact Mass307.11
IUPAC Name2-(2-chloro-4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1Cl)c1cc(C)ccc1OC
InChIInChI=1S/C17H19ClFNO/c1-11-4-7-17(21-3)14(8-11)16(20-2)9-12-5-6-13(19)10-15(12)18/h4-8,10,16,20H,9H2,1-3H3
InChIKeyCSQUEJXECHAWIB-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-(2-chloro-4-methylphenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 106867237
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 43485624
1-(4-fluoro-2-methylphenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 81267976
2-(3-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 43626286
1-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 43485635
2-(4-chloro-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylethanamine
CID 106792155
2-(5-bromo-2-methoxyphenyl)-1-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 63419933
1-(2-chloro-3-fluorophenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 115826207
2-(2-chloro-4-fluorophenyl)-1-(2,3-difluorophenyl)-N-methylethanamine
CID 63987777
1-(2-chloro-4-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 63419886
2-(4-fluoro-2-methylphenyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 105050993
N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxy-5-methylaniline
CID 29034748

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine (CID 63033863) is 2-(2-chloro-4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine is CNC(Cc1ccc(F)cc1Cl)c1cc(C)ccc1OC.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine?
The InChIKey is CSQUEJXECHAWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO/c1-11-4-7-17(21-3)14(8-11)16(20-2)9-12-5-6-13(19)10-15(12)18/h4-8,10,16,20H,9H2,1-3H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine?
2-(2-chloro-4-fluorophenyl)-1-(2-methoxy-5-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-(2-chloro-4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 63033863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).