2-fluoro-2-phenyl-3-(4-propan-2-ylphenyl)propan-1-amine

C18H22FN — CID 115918116

IUPAC2-fluoro-2-phenyl-3-(4-propan-2-ylphenyl)propan-1-amine
SMILESCC(C)c1ccc(CC(F)(CN)c2ccccc2)cc1
InChIInChI=1S/C18H22FN/c1-14(2)16-10-8-15(9-11-16)12-18(19,13-20)17-6-4-3-5-7-17/h3-11,14H,12-13,20H2,1-2H3
InChIKeyBOMYLQIJTMOZIS-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.18
Rot. Bonds5

About 2-fluoro-2-phenyl-3-(4-propan-2-ylphenyl)propan-1-amine

2-fluoro-2-phenyl-3-(4-propan-2-ylphenyl)propan-1-amine (PubChem CID 115918116) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is 2-fluoro-2-phenyl-3-(4-propan-2-ylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-fluoro-2-phenyl-3-(4-propan-2-ylphenyl)propan-1-amine
PubChem CID115918116
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name2-fluoro-2-phenyl-3-(4-propan-2-ylphenyl)propan-1-amine
SMILESCC(C)c1ccc(CC(F)(CN)c2ccccc2)cc1
InChIInChI=1S/C18H22FN/c1-14(2)16-10-8-15(9-11-16)12-18(19,13-20)17-6-4-3-5-7-17/h3-11,14H,12-13,20H2,1-2H3
InChIKeyBOMYLQIJTMOZIS-UHFFFAOYSA-N
XLogP4.18
TPSA26.02 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 ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-3-(4-iodophenyl)-2-phenylpropan-1-amine
CID 112566336
1-(2-methyl-2-phenylpropyl)-4-propan-2-ylbenzene
CID 57304715
3-(2,6-dimethylphenyl)-2-fluoro-2-phenylpropan-1-amine
CID 112566259
2-cyclopropyl-2-fluoro-3-(4-propan-2-ylphenyl)propan-1-amine
CID 112567251
2,2-difluoro-2-phenyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 116788992
3-(2-chloro-4-methylphenyl)-2-fluoro-2-phenylpropan-1-amine
CID 106871130
1-(2-methyl-1-phenylpropan-2-yl)-4-[(4-propan-2-ylphenyl)methyl]benzene
CID 163531384
2-fluoro-3-naphthalen-1-yl-2-phenylpropan-1-amine
CID 115918085
1-iodo-4-propan-2-ylbenzene;trifluoromethylbenzene
CID 174465530
2-fluoro-3-(furan-2-yl)-2-phenylpropan-1-amine
CID 112566397
CID 174377533
CID 174377533
1-(2,2-dimethylpropyl)-4-propan-2-ylbenzene;methane
CID 166076943

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-phenyl-3-(4-propan-2-ylphenyl)propan-1-amine?
The IUPAC name of 2-fluoro-2-phenyl-3-(4-propan-2-ylphenyl)propan-1-amine (CID 115918116) is 2-fluoro-2-phenyl-3-(4-propan-2-ylphenyl)propan-1-amine.
What is the SMILES notation for 2-fluoro-2-phenyl-3-(4-propan-2-ylphenyl)propan-1-amine?
The canonical SMILES for 2-fluoro-2-phenyl-3-(4-propan-2-ylphenyl)propan-1-amine is CC(C)c1ccc(CC(F)(CN)c2ccccc2)cc1.
What is the InChIKey of 2-fluoro-2-phenyl-3-(4-propan-2-ylphenyl)propan-1-amine?
The InChIKey is BOMYLQIJTMOZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-14(2)16-10-8-15(9-11-16)12-18(19,13-20)17-6-4-3-5-7-17/h3-11,14H,12-13,20H2,1-2H3.
What are the key properties of 2-fluoro-2-phenyl-3-(4-propan-2-ylphenyl)propan-1-amine?
2-fluoro-2-phenyl-3-(4-propan-2-ylphenyl)propan-1-amine has a molecular weight of 271.38 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-phenyl-3-(4-propan-2-ylphenyl)propan-1-amine is sourced from PubChem (CID 115918116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).