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

C16H17ClFNO — CID 106791779

IUPAC1-(4-chloro-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)cc1F)c1ccc(C)cc1OC
InChIInChI=1S/C16H17ClFNO/c1-10-4-6-13(15(8-10)20-3)16(19-2)12-7-5-11(17)9-14(12)18/h4-9,16,19H,1-3H3
InChIKeyLUKRKGHIDPNBFN-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.10
Rot. Bonds4

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

1-(4-chloro-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylmethanamine (PubChem CID 106791779) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylmethanamine
PubChem CID106791779
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name1-(4-chloro-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)cc1F)c1ccc(C)cc1OC
InChIInChI=1S/C16H17ClFNO/c1-10-4-6-13(15(8-10)20-3)16(19-2)12-7-5-11(17)9-14(12)18/h4-9,16,19H,1-3H3
InChIKeyLUKRKGHIDPNBFN-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-5-methylphenyl)-1-(2-methoxy-4-methylphenyl)-N-methylmethanamine
CID 106792082
1-(4-chloro-2-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 55180207
1-(4-chloro-2-methoxyphenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
CID 107513966
1-(4-chloro-2-fluorophenyl)-1-(3-chloro-4-methoxyphenyl)-N-methylmethanamine
CID 43480929
1-(4-chloro-2-fluorophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 82807492
2-(4-chloro-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylethanamine
CID 106792155
1-(2-fluoro-5-methylphenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 62790144
1-(2-fluoro-4-methylphenyl)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylmethanamine
CID 106682218
1-(5-chloro-2-methoxyphenyl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 43561335
1-(4-bromo-2-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine
CID 104545947
1-(2-methoxy-4-methylphenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 106792109
1-(2-bromo-4-methoxyphenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 60788480

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylmethanamine (CID 106791779) is 1-(4-chloro-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylmethanamine is CNC(c1ccc(Cl)cc1F)c1ccc(C)cc1OC.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylmethanamine?
The InChIKey is LUKRKGHIDPNBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-10-4-6-13(15(8-10)20-3)16(19-2)12-7-5-11(17)9-14(12)18/h4-9,16,19H,1-3H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylmethanamine?
1-(4-chloro-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylmethanamine has a molecular weight of 293.77 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 106791779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).