1-(2,5-dimethylphenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine

C18H22FN — CID 61481696

IUPAC1-(2,5-dimethylphenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1cccc(F)c1)Cc1cc(C)ccc1C
InChIInChI=1S/C18H22FN/c1-13-7-8-14(2)16(9-13)12-18(20-3)11-15-5-4-6-17(19)10-15/h4-10,18,20H,11-12H2,1-3H3
InChIKeyOZBGAKZNZYOTDT-UHFFFAOYSA-N
MW271.38 g/mol
LogP3.82
Rot. Bonds5

About 1-(2,5-dimethylphenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine

1-(2,5-dimethylphenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine (PubChem CID 61481696) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine
PubChem CID61481696
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name1-(2,5-dimethylphenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1cccc(F)c1)Cc1cc(C)ccc1C
InChIInChI=1S/C18H22FN/c1-13-7-8-14(2)16(9-13)12-18(20-3)11-15-5-4-6-17(19)10-15/h4-10,18,20H,11-12H2,1-3H3
InChIKeyOZBGAKZNZYOTDT-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-methylphenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine
CID 106867013
1-(5-fluoro-2-methylphenyl)-N-methyl-3-phenylpropan-2-amine
CID 105373668
[1-(3-fluorophenyl)-3-(2-methylphenyl)propan-2-yl]hydrazine
CID 105204751
1-(5-bromo-2-fluorophenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine
CID 62601970
1-(3-fluorophenyl)-3-(4-iodophenyl)-N-methylpropan-2-amine
CID 65476281
1-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)-N-methylpropan-2-amine
CID 61481786
1-(2-bromophenyl)-3-(2,5-dimethylphenyl)-N-methylpropan-2-amine
CID 63420181
1-(3-bromophenyl)-N-methyl-3-(2-methylphenyl)propan-2-amine
CID 60819427
1-(3-fluorophenyl)-3-(3-methylphenyl)-N-propylpropan-2-amine
CID 63417000
1-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-2-amine
CID 105373749
1-(2,5-dimethylphenyl)-N-methylpent-4-yn-2-amine
CID 114977590
1-(2,5-dimethylphenyl)-N-ethyl-3-phenylpropan-2-amine
CID 61482245

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine (CID 61481696) is 1-(2,5-dimethylphenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine is CNC(Cc1cccc(F)c1)Cc1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine?
The InChIKey is OZBGAKZNZYOTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-13-7-8-14(2)16(9-13)12-18(20-3)11-15-5-4-6-17(19)10-15/h4-10,18,20H,11-12H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine?
1-(2,5-dimethylphenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine has a molecular weight of 271.38 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 61481696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).