1-(4-chloro-2-fluorophenyl)-1-(2-ethylphenyl)-N-methylmethanamine

C16H17ClFN — CID 105022752

IUPAC1-(4-chloro-2-fluorophenyl)-1-(2-ethylphenyl)-N-methylmethanamine
SMILESCCc1ccccc1C(NC)c1ccc(Cl)cc1F
InChIInChI=1S/C16H17ClFN/c1-3-11-6-4-5-7-13(11)16(19-2)14-9-8-12(17)10-15(14)18/h4-10,16,19H,3H2,1-2H3
InChIKeyJYHGQRCMBAUGLZ-UHFFFAOYSA-N
MW277.77 g/mol
LogP4.35
Rot. Bonds4

About 1-(4-chloro-2-fluorophenyl)-1-(2-ethylphenyl)-N-methylmethanamine

1-(4-chloro-2-fluorophenyl)-1-(2-ethylphenyl)-N-methylmethanamine (PubChem CID 105022752) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-1-(2-ethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-1-(2-ethylphenyl)-N-methylmethanamine
PubChem CID105022752
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC Name1-(4-chloro-2-fluorophenyl)-1-(2-ethylphenyl)-N-methylmethanamine
SMILESCCc1ccccc1C(NC)c1ccc(Cl)cc1F
InChIInChI=1S/C16H17ClFN/c1-3-11-6-4-5-7-13(11)16(19-2)14-9-8-12(17)10-15(14)18/h4-10,16,19H,3H2,1-2H3
InChIKeyJYHGQRCMBAUGLZ-UHFFFAOYSA-N
XLogP4.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-difluoro-4-methylphenyl)-1-(2-ethylphenyl)-N-methylmethanamine
CID 107515485
1-(2-chloro-4,5-dimethylphenyl)-1-(2-ethylphenyl)-N-methylmethanamine
CID 115483803
1-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 114906262
1-(4-chloro-2-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 55180207
1-(4-chloro-2-fluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 61066122
1-(4-chloro-2-fluorophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 82807492
1-(4-chloro-2-fluorophenyl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 63939214
1-(4-chloro-2-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine
CID 43486782
1-(2-ethylphenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 105016630
1-(4-chloro-2-fluorophenyl)-1-(4-ethylsulfanylphenyl)-N-methylmethanamine
CID 106848824
1-(5-bromo-4-fluoro-2-methoxyphenyl)-1-(2-ethylphenyl)-N-methylmethanamine
CID 103394612
1-(4-chloro-2-fluorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 63081255

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-1-(2-ethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-1-(2-ethylphenyl)-N-methylmethanamine (CID 105022752) is 1-(4-chloro-2-fluorophenyl)-1-(2-ethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-1-(2-ethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-1-(2-ethylphenyl)-N-methylmethanamine is CCc1ccccc1C(NC)c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-1-(2-ethylphenyl)-N-methylmethanamine?
The InChIKey is JYHGQRCMBAUGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-3-11-6-4-5-7-13(11)16(19-2)14-9-8-12(17)10-15(14)18/h4-10,16,19H,3H2,1-2H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-1-(2-ethylphenyl)-N-methylmethanamine?
1-(4-chloro-2-fluorophenyl)-1-(2-ethylphenyl)-N-methylmethanamine has a molecular weight of 277.77 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-1-(2-ethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 105022752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).