1-(2,4-difluoro-5-methylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine

C16H17F2NO — CID 79724422

IUPAC1-(2,4-difluoro-5-methylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cccc(OC)c1)c1cc(C)c(F)cc1F
InChIInChI=1S/C16H17F2NO/c1-10-7-13(15(18)9-14(10)17)16(19-2)11-5-4-6-12(8-11)20-3/h4-9,16,19H,1-3H3
InChIKeyNUGLGQQIRFNSTP-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.59
Rot. Bonds4

About 1-(2,4-difluoro-5-methylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine

1-(2,4-difluoro-5-methylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine (PubChem CID 79724422) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 1-(2,4-difluoro-5-methylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,4-difluoro-5-methylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
PubChem CID79724422
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name1-(2,4-difluoro-5-methylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cccc(OC)c1)c1cc(C)c(F)cc1F
InChIInChI=1S/C16H17F2NO/c1-10-7-13(15(18)9-14(10)17)16(19-2)11-5-4-6-12(8-11)20-3/h4-9,16,19H,1-3H3
InChIKeyNUGLGQQIRFNSTP-UHFFFAOYSA-N
XLogP3.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-3,5-dimethylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 65299487
1-(2,5-dimethylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 43483809
1-(2-chloro-5-fluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 105394635
1-(4-chloro-3-fluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 107991860
1-(4-bromo-2,6-difluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 115785773
1-(2,4-difluoro-5-methylphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 81477315
1-(4-chloro-3-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine
CID 107998804
1-(2,4-difluoro-5-methylphenyl)-1-(2,3-difluorophenyl)-N-methylmethanamine
CID 79725266
1-[3-(difluoromethoxy)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 43482866
[(2-fluoro-4-methylphenyl)-(3-methoxyphenyl)methyl]hydrazine
CID 105283579
1-(2,5-difluorophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 62920487
1-(1,3-dimethylpyrazol-4-yl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 102802975

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluoro-5-methylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2,4-difluoro-5-methylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine (CID 79724422) is 1-(2,4-difluoro-5-methylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,4-difluoro-5-methylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,4-difluoro-5-methylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine is CNC(c1cccc(OC)c1)c1cc(C)c(F)cc1F.
What is the InChIKey of 1-(2,4-difluoro-5-methylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine?
The InChIKey is NUGLGQQIRFNSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-10-7-13(15(18)9-14(10)17)16(19-2)11-5-4-6-12(8-11)20-3/h4-9,16,19H,1-3H3.
What are the key properties of 1-(2,4-difluoro-5-methylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine?
1-(2,4-difluoro-5-methylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine has a molecular weight of 277.31 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluoro-5-methylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 79724422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).