1-(2,3-difluoro-4-methylphenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine

C18H21F2N — CID 107513318

IUPAC1-(2,3-difluoro-4-methylphenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(C)c(C)c1)c1ccc(C)c(F)c1F
InChIInChI=1S/C18H21F2N/c1-11-5-7-14(9-13(11)3)10-16(21-4)15-8-6-12(2)17(19)18(15)20/h5-9,16,21H,10H2,1-4H3
InChIKeyVPOJGHWQKDZRJQ-UHFFFAOYSA-N
MW289.37 g/mol
LogP4.39
Rot. Bonds4

About 1-(2,3-difluoro-4-methylphenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine

1-(2,3-difluoro-4-methylphenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine (PubChem CID 107513318) has the molecular formula C18H21F2N and a molecular weight of 289.37 g/mol. Its IUPAC name is 1-(2,3-difluoro-4-methylphenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2,3-difluoro-4-methylphenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
PubChem CID107513318
Molecular FormulaC18H21F2N
Molecular Weight289.37 g/mol
Exact Mass289.16
IUPAC Name1-(2,3-difluoro-4-methylphenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(C)c(C)c1)c1ccc(C)c(F)c1F
InChIInChI=1S/C18H21F2N/c1-11-5-7-14(9-13(11)3)10-16(21-4)15-8-6-12(2)17(19)18(15)20/h5-9,16,21H,10H2,1-4H3
InChIKeyVPOJGHWQKDZRJQ-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,4-dimethylphenyl)-1-(2-fluorophenyl)-N-methylethanamine
CID 62537490
[2-(3,4-dimethylphenyl)-1-(2,3,4-trifluorophenyl)ethyl]hydrazine
CID 105215076
2-(3,4-dimethylphenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylethanamine
CID 62551268
1-(2-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63415502
1-(2,3-difluoro-4-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 107513287
1-(2-bromo-4-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 107988881
1-(4-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63414512
1-(3-chloro-4-fluorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63418793
1-(2,3-difluoro-4-methylphenyl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 107513221
1-(2,3-difluoro-4-methylphenyl)-N-methyl-2-pyridin-2-ylethanamine
CID 107513169
2-(3,4-dimethylphenyl)-1-(4-ethoxyphenyl)-N-methylethanamine
CID 62553312
1-(1-benzothiophen-7-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 81128451

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine?
The IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine (CID 107513318) is 1-(2,3-difluoro-4-methylphenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2,3-difluoro-4-methylphenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine?
The canonical SMILES for 1-(2,3-difluoro-4-methylphenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine is CNC(Cc1ccc(C)c(C)c1)c1ccc(C)c(F)c1F.
What is the InChIKey of 1-(2,3-difluoro-4-methylphenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine?
The InChIKey is VPOJGHWQKDZRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N/c1-11-5-7-14(9-13(11)3)10-16(21-4)15-8-6-12(2)17(19)18(15)20/h5-9,16,21H,10H2,1-4H3.
What are the key properties of 1-(2,3-difluoro-4-methylphenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine?
1-(2,3-difluoro-4-methylphenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine has a molecular weight of 289.37 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoro-4-methylphenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine is sourced from PubChem (CID 107513318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).