1-[3-(2-fluoro-4,6-dimethylphenyl)phenyl]propan-1-amine

C17H20FN — CID 106882319

IUPAC1-[3-(2-fluoro-4,6-dimethylphenyl)phenyl]propan-1-amine
SMILESCCC(N)c1cccc(-c2c(C)cc(C)cc2F)c1
InChIInChI=1S/C17H20FN/c1-4-16(19)13-6-5-7-14(10-13)17-12(3)8-11(2)9-15(17)18/h5-10,16H,4,19H2,1-3H3
InChIKeyXKUMHKJFCNEWMO-UHFFFAOYSA-N
MW257.35 g/mol
LogP4.52
Rot. Bonds3

About 1-[3-(2-fluoro-4,6-dimethylphenyl)phenyl]propan-1-amine

1-[3-(2-fluoro-4,6-dimethylphenyl)phenyl]propan-1-amine (PubChem CID 106882319) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is 1-[3-(2-fluoro-4,6-dimethylphenyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[3-(2-fluoro-4,6-dimethylphenyl)phenyl]propan-1-amine
PubChem CID106882319
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC Name1-[3-(2-fluoro-4,6-dimethylphenyl)phenyl]propan-1-amine
SMILESCCC(N)c1cccc(-c2c(C)cc(C)cc2F)c1
InChIInChI=1S/C17H20FN/c1-4-16(19)13-6-5-7-14(10-13)17-12(3)8-11(2)9-15(17)18/h5-10,16H,4,19H2,1-3H3
InChIKeyXKUMHKJFCNEWMO-UHFFFAOYSA-N
XLogP4.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(2-methoxy-4,6-dimethylphenyl)phenyl]propan-1-amine
CID 106681172
1-[3-(2,4-difluoro-5-methylphenyl)phenyl]propan-1-amine
CID 79731856
1-[3-(1-aminopropyl)phenyl]propan-1-amine
CID 20543882
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964
1-[4-(2-fluoro-4,6-dimethylphenyl)phenyl]ethanamine
CID 106882206
1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]propan-1-amine
CID 107289774
1-[3-(2,4,6-trifluorophenyl)phenyl]ethanamine
CID 54910225
1-[3-(2-fluorophenoxy)phenyl]propan-1-amine
CID 114079138
1-(3-fluoro-5-methylphenyl)propan-1-amine
CID 55282781
1-[3-(4-bromo-3-chloro-2-fluorophenyl)phenyl]propan-1-amine
CID 106763293
1-[4-(3-fluoro-5-methylphenyl)phenyl]propan-1-amine
CID 79691066
1-[3-(2-methoxy-4,6-dimethylphenyl)phenyl]-N-methylpropan-1-amine
CID 106681161

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluoro-4,6-dimethylphenyl)phenyl]propan-1-amine?
The IUPAC name of 1-[3-(2-fluoro-4,6-dimethylphenyl)phenyl]propan-1-amine (CID 106882319) is 1-[3-(2-fluoro-4,6-dimethylphenyl)phenyl]propan-1-amine.
What is the SMILES notation for 1-[3-(2-fluoro-4,6-dimethylphenyl)phenyl]propan-1-amine?
The canonical SMILES for 1-[3-(2-fluoro-4,6-dimethylphenyl)phenyl]propan-1-amine is CCC(N)c1cccc(-c2c(C)cc(C)cc2F)c1.
What is the InChIKey of 1-[3-(2-fluoro-4,6-dimethylphenyl)phenyl]propan-1-amine?
The InChIKey is XKUMHKJFCNEWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-4-16(19)13-6-5-7-14(10-13)17-12(3)8-11(2)9-15(17)18/h5-10,16H,4,19H2,1-3H3.
What are the key properties of 1-[3-(2-fluoro-4,6-dimethylphenyl)phenyl]propan-1-amine?
1-[3-(2-fluoro-4,6-dimethylphenyl)phenyl]propan-1-amine has a molecular weight of 257.35 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluoro-4,6-dimethylphenyl)phenyl]propan-1-amine is sourced from PubChem (CID 106882319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).