2-(3,4-dimethylphenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylethanamine

C18H22FNO — CID 62551268

IUPAC2-(3,4-dimethylphenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(C)c(C)c1)c1cc(F)ccc1OC
InChIInChI=1S/C18H22FNO/c1-12-5-6-14(9-13(12)2)10-17(20-3)16-11-15(19)7-8-18(16)21-4/h5-9,11,17,20H,10H2,1-4H3
InChIKeyPDOIQAMOFXDCNP-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.95
Rot. Bonds5

About 2-(3,4-dimethylphenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylethanamine

2-(3,4-dimethylphenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylethanamine (PubChem CID 62551268) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylethanamine
PubChem CID62551268
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name2-(3,4-dimethylphenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(C)c(C)c1)c1cc(F)ccc1OC
InChIInChI=1S/C18H22FNO/c1-12-5-6-14(9-13(12)2)10-17(20-3)16-11-15(19)7-8-18(16)21-4/h5-9,11,17,20H,10H2,1-4H3
InChIKeyPDOIQAMOFXDCNP-UHFFFAOYSA-N
XLogP3.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 43485624
2-(3-fluoro-4-methoxyphenyl)-1-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 62605096
2-(4-bromophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylethanamine
CID 43485689
2-(3-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 43626286
2-(3-bromo-4-methoxyphenyl)-1-(2,5-difluorophenyl)-N-methylethanamine
CID 63673603
1-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 43485635
2-(3,4-dimethylphenyl)-1-(2-fluorophenyl)-N-methylethanamine
CID 62537490
1-(2,3-difluoro-4-methylphenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 107513318
1-(2-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63415502
2-(4-iodophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 115864110
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 82769305
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 82769777

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-(3,4-dimethylphenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylethanamine (CID 62551268) is 2-(3,4-dimethylphenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-(3,4-dimethylphenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylethanamine is CNC(Cc1ccc(C)c(C)c1)c1cc(F)ccc1OC.
What is the InChIKey of 2-(3,4-dimethylphenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylethanamine?
The InChIKey is PDOIQAMOFXDCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-12-5-6-14(9-13(12)2)10-17(20-3)16-11-15(19)7-8-18(16)21-4/h5-9,11,17,20H,10H2,1-4H3.
What are the key properties of 2-(3,4-dimethylphenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylethanamine?
2-(3,4-dimethylphenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylethanamine has a molecular weight of 287.38 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 62551268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).