1-(3-fluoro-5-methylphenyl)-N-methyl-2-phenylbutan-1-amine

C18H22FN — CID 105016444

IUPAC1-(3-fluoro-5-methylphenyl)-N-methyl-2-phenylbutan-1-amine
SMILESCCC(c1ccccc1)C(NC)c1cc(C)cc(F)c1
InChIInChI=1S/C18H22FN/c1-4-17(14-8-6-5-7-9-14)18(20-3)15-10-13(2)11-16(19)12-15/h5-12,17-18,20H,4H2,1-3H3
InChIKeyIHLXUVOVWFYFJI-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.59
Rot. Bonds5

About 1-(3-fluoro-5-methylphenyl)-N-methyl-2-phenylbutan-1-amine

1-(3-fluoro-5-methylphenyl)-N-methyl-2-phenylbutan-1-amine (PubChem CID 105016444) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is 1-(3-fluoro-5-methylphenyl)-N-methyl-2-phenylbutan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-5-methylphenyl)-N-methyl-2-phenylbutan-1-amine
PubChem CID105016444
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name1-(3-fluoro-5-methylphenyl)-N-methyl-2-phenylbutan-1-amine
SMILESCCC(c1ccccc1)C(NC)c1cc(C)cc(F)c1
InChIInChI=1S/C18H22FN/c1-4-17(14-8-6-5-7-9-14)18(20-3)15-10-13(2)11-16(19)12-15/h5-12,17-18,20H,4H2,1-3H3
InChIKeyIHLXUVOVWFYFJI-UHFFFAOYSA-N
XLogP4.59
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 ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluorophenyl)-N-methyl-2-phenylbutan-1-amine
CID 43481338
N-methyl-2-phenyl-1-(2,4,6-trifluorophenyl)butan-1-amine
CID 43483247
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-phenylbutan-1-amine
CID 43485711
[1-(2-fluoro-4,6-dimethylphenyl)-2-phenylbutyl]hydrazine
CID 106884498
3-(3-fluorophenyl)-N-methylpentan-2-amine
CID 114873130
1-(3-bromo-2-fluorophenyl)-N-methyl-2-phenylbutan-1-amine
CID 106647998
N-[(1S)-1-(3-fluoro-5-methylphenyl)ethyl]-N-methyl-1-phenylethanamine
CID 58819068
1-(1-benzofuran-2-yl)-N-methyl-2-phenylbutan-1-amine
CID 105044033
1-(2-ethylphenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 105016630
1-(3,5-dimethylphenyl)-2-ethyl-N-methylbutan-1-amine
CID 115797109
2-cyclopropyl-2-ethoxy-1-(3-fluoro-5-methylphenyl)-N-methylethanamine
CID 116723511
1-(3-bromothiophen-2-yl)-N-methyl-2-phenylbutan-1-amine
CID 80534954

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methylphenyl)-N-methyl-2-phenylbutan-1-amine?
The IUPAC name of 1-(3-fluoro-5-methylphenyl)-N-methyl-2-phenylbutan-1-amine (CID 105016444) is 1-(3-fluoro-5-methylphenyl)-N-methyl-2-phenylbutan-1-amine.
What is the SMILES notation for 1-(3-fluoro-5-methylphenyl)-N-methyl-2-phenylbutan-1-amine?
The canonical SMILES for 1-(3-fluoro-5-methylphenyl)-N-methyl-2-phenylbutan-1-amine is CCC(c1ccccc1)C(NC)c1cc(C)cc(F)c1.
What is the InChIKey of 1-(3-fluoro-5-methylphenyl)-N-methyl-2-phenylbutan-1-amine?
The InChIKey is IHLXUVOVWFYFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-4-17(14-8-6-5-7-9-14)18(20-3)15-10-13(2)11-16(19)12-15/h5-12,17-18,20H,4H2,1-3H3.
What are the key properties of 1-(3-fluoro-5-methylphenyl)-N-methyl-2-phenylbutan-1-amine?
1-(3-fluoro-5-methylphenyl)-N-methyl-2-phenylbutan-1-amine has a molecular weight of 271.38 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methylphenyl)-N-methyl-2-phenylbutan-1-amine is sourced from PubChem (CID 105016444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).