1-(3-fluoro-4-methylphenyl)-N-methyl-3-(2-methylphenyl)propan-1-amine

C18H22FN — CID 107130321

IUPAC1-(3-fluoro-4-methylphenyl)-N-methyl-3-(2-methylphenyl)propan-1-amine
SMILESCNC(CCc1ccccc1C)c1ccc(C)c(F)c1
InChIInChI=1S/C18H22FN/c1-13-6-4-5-7-15(13)10-11-18(20-3)16-9-8-14(2)17(19)12-16/h4-9,12,18,20H,10-11H2,1-3H3
InChIKeyLURWJZNTBOLVNU-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.34
Rot. Bonds5

About 1-(3-fluoro-4-methylphenyl)-N-methyl-3-(2-methylphenyl)propan-1-amine

1-(3-fluoro-4-methylphenyl)-N-methyl-3-(2-methylphenyl)propan-1-amine (PubChem CID 107130321) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-N-methyl-3-(2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-N-methyl-3-(2-methylphenyl)propan-1-amine
PubChem CID107130321
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name1-(3-fluoro-4-methylphenyl)-N-methyl-3-(2-methylphenyl)propan-1-amine
SMILESCNC(CCc1ccccc1C)c1ccc(C)c(F)c1
InChIInChI=1S/C18H22FN/c1-13-6-4-5-7-15(13)10-11-18(20-3)16-9-8-14(2)17(19)12-16/h4-9,12,18,20H,10-11H2,1-3H3
InChIKeyLURWJZNTBOLVNU-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluoro-4-methylphenyl)-N-methylbutan-1-amine
CID 60819926
1-(3-fluoro-4-methylphenyl)-N-methyl-2-phenylethanamine
CID 60820090
N-ethyl-1-(3-fluoro-4-methylphenyl)-2-(2-methylphenyl)ethanamine
CID 60819420
1-(3-fluoro-4-methylphenyl)-N-methyldecan-1-amine
CID 63413701
1-(2-chloro-5-fluorophenyl)-N-methyl-3-(2-methylphenyl)propan-1-amine
CID 105396940
1-(4-chloro-3-fluorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 107991975
2-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
CID 102857521
3-ethyl-1-(3-fluoro-4-methylphenyl)-N-methylpentan-1-amine
CID 82922591
2-(5-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
CID 103048488
1-(3-fluoro-4-methylphenyl)-N,3-dimethylhexan-1-amine
CID 62599815
1-(3-fluoro-4-methylphenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 60818353
2-(benzimidazol-1-yl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
CID 107130065

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-methyl-3-(2-methylphenyl)propan-1-amine?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-methyl-3-(2-methylphenyl)propan-1-amine (CID 107130321) is 1-(3-fluoro-4-methylphenyl)-N-methyl-3-(2-methylphenyl)propan-1-amine.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-N-methyl-3-(2-methylphenyl)propan-1-amine?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-N-methyl-3-(2-methylphenyl)propan-1-amine is CNC(CCc1ccccc1C)c1ccc(C)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-N-methyl-3-(2-methylphenyl)propan-1-amine?
The InChIKey is LURWJZNTBOLVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-13-6-4-5-7-15(13)10-11-18(20-3)16-9-8-14(2)17(19)12-16/h4-9,12,18,20H,10-11H2,1-3H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-N-methyl-3-(2-methylphenyl)propan-1-amine?
1-(3-fluoro-4-methylphenyl)-N-methyl-3-(2-methylphenyl)propan-1-amine has a molecular weight of 271.38 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-N-methyl-3-(2-methylphenyl)propan-1-amine is sourced from PubChem (CID 107130321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).