1-(4-fluoro-2-methylphenyl)-3-phenylpropan-2-amine

C16H18FN — CID 62720947

IUPAC1-(4-fluoro-2-methylphenyl)-3-phenylpropan-2-amine
SMILESCc1cc(F)ccc1CC(N)Cc1ccccc1
InChIInChI=1S/C16H18FN/c1-12-9-15(17)8-7-14(12)11-16(18)10-13-5-3-2-4-6-13/h2-9,16H,10-11,18H2,1H3
InChIKeyKMEXQWKMDFRAPX-UHFFFAOYSA-N
MW243.33 g/mol
LogP3.25
Rot. Bonds4

About 1-(4-fluoro-2-methylphenyl)-3-phenylpropan-2-amine

1-(4-fluoro-2-methylphenyl)-3-phenylpropan-2-amine (PubChem CID 62720947) has the molecular formula C16H18FN and a molecular weight of 243.33 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-3-phenylpropan-2-amine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-3-phenylpropan-2-amine
PubChem CID62720947
Molecular FormulaC16H18FN
Molecular Weight243.33 g/mol
Exact Mass243.14
IUPAC Name1-(4-fluoro-2-methylphenyl)-3-phenylpropan-2-amine
SMILESCc1cc(F)ccc1CC(N)Cc1ccccc1
InChIInChI=1S/C16H18FN/c1-12-9-15(17)8-7-14(12)11-16(18)10-13-5-3-2-4-6-13/h2-9,16H,10-11,18H2,1H3
InChIKeyKMEXQWKMDFRAPX-UHFFFAOYSA-N
XLogP3.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)propan-2-amine
CID 114347641
1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-2-amine
CID 114347770
1-(4-fluoro-2-methylphenyl)-4-phenylbutan-2-amine
CID 114347745
1-(4-chlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine
CID 114347640
2-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol
CID 115649532
1-(3,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine
CID 105051169
1-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-2-amine
CID 105373749
1-(4-fluoro-2-methylphenyl)-2-phenylethanamine
CID 62790331
4-fluoro-2-methyl-1-(2-phenylethyl)benzene
CID 90778447
N-[(4-fluoro-2-methylphenyl)methyl]-1-phenylpropan-2-amine
CID 63012959
1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-amine
CID 114348029
1-(3,4-dimethylphenyl)-3-(5-fluoro-2-methylphenyl)propan-2-amine
CID 105373859

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-3-phenylpropan-2-amine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-3-phenylpropan-2-amine (CID 62720947) is 1-(4-fluoro-2-methylphenyl)-3-phenylpropan-2-amine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-3-phenylpropan-2-amine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-3-phenylpropan-2-amine is Cc1cc(F)ccc1CC(N)Cc1ccccc1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-3-phenylpropan-2-amine?
The InChIKey is KMEXQWKMDFRAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-12-9-15(17)8-7-14(12)11-16(18)10-13-5-3-2-4-6-13/h2-9,16H,10-11,18H2,1H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-3-phenylpropan-2-amine?
1-(4-fluoro-2-methylphenyl)-3-phenylpropan-2-amine has a molecular weight of 243.33 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-3-phenylpropan-2-amine is sourced from PubChem (CID 62720947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).