1-[4-(3-fluoro-5-methylphenyl)phenyl]propan-1-amine

C16H18FN — CID 79691066

IUPAC1-[4-(3-fluoro-5-methylphenyl)phenyl]propan-1-amine
SMILESCCC(N)c1ccc(-c2cc(C)cc(F)c2)cc1
InChIInChI=1S/C16H18FN/c1-3-16(18)13-6-4-12(5-7-13)14-8-11(2)9-15(17)10-14/h4-10,16H,3,18H2,1-2H3
InChIKeyHGKKUXCAIUWVNW-UHFFFAOYSA-N
MW243.32 g/mol
LogP4.21
Rot. Bonds3

About 1-[4-(3-fluoro-5-methylphenyl)phenyl]propan-1-amine

1-[4-(3-fluoro-5-methylphenyl)phenyl]propan-1-amine (PubChem CID 79691066) has the molecular formula C16H18FN and a molecular weight of 243.32 g/mol. Its IUPAC name is 1-[4-(3-fluoro-5-methylphenyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[4-(3-fluoro-5-methylphenyl)phenyl]propan-1-amine
PubChem CID79691066
Molecular FormulaC16H18FN
Molecular Weight243.32 g/mol
Exact Mass243.14
IUPAC Name1-[4-(3-fluoro-5-methylphenyl)phenyl]propan-1-amine
SMILESCCC(N)c1ccc(-c2cc(C)cc(F)c2)cc1
InChIInChI=1S/C16H18FN/c1-3-16(18)13-6-4-12(5-7-13)14-8-11(2)9-15(17)10-14/h4-10,16H,3,18H2,1-2H3
InChIKeyHGKKUXCAIUWVNW-UHFFFAOYSA-N
XLogP4.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.32
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(3-fluoro-5-methylphenyl)phenyl]ethanamine
CID 79689806
1-(3-fluoro-5-methylphenyl)propan-1-amine
CID 55282781
(1S)-1-(4-methylphenyl)propan-1-amine
CID 7028357
ethane;1-(4-methylphenyl)propan-1-amine
CID 142982263
1-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-amine
CID 61032956
1-[5-(3-fluoro-5-methylphenyl)furan-2-yl]propan-1-amine
CID 79050083
1-[4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]phenyl]propan-1-amine
CID 126539551
3-ethyl-1-(3-fluoro-5-methylphenyl)pentan-1-amine
CID 82922751
1-[4-(3,4-dimethoxyphenyl)phenyl]propan-1-amine
CID 61026046
(3-fluoro-5-methylphenyl)-(4-methylphenyl)methanamine
CID 79704327
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964
1-[4-[4-(5-ethyl-4-methylthiophen-2-yl)-3-fluorophenyl]phenyl]propan-1-amine
CID 174339479

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluoro-5-methylphenyl)phenyl]propan-1-amine?
The IUPAC name of 1-[4-(3-fluoro-5-methylphenyl)phenyl]propan-1-amine (CID 79691066) is 1-[4-(3-fluoro-5-methylphenyl)phenyl]propan-1-amine.
What is the SMILES notation for 1-[4-(3-fluoro-5-methylphenyl)phenyl]propan-1-amine?
The canonical SMILES for 1-[4-(3-fluoro-5-methylphenyl)phenyl]propan-1-amine is CCC(N)c1ccc(-c2cc(C)cc(F)c2)cc1.
What is the InChIKey of 1-[4-(3-fluoro-5-methylphenyl)phenyl]propan-1-amine?
The InChIKey is HGKKUXCAIUWVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-3-16(18)13-6-4-12(5-7-13)14-8-11(2)9-15(17)10-14/h4-10,16H,3,18H2,1-2H3.
What are the key properties of 1-[4-(3-fluoro-5-methylphenyl)phenyl]propan-1-amine?
1-[4-(3-fluoro-5-methylphenyl)phenyl]propan-1-amine has a molecular weight of 243.32 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-fluoro-5-methylphenyl)phenyl]propan-1-amine is sourced from PubChem (CID 79691066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).