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

C15H22FN — CID 112567251

IUPAC2-cyclopropyl-2-fluoro-3-(4-propan-2-ylphenyl)propan-1-amine
SMILESCC(C)c1ccc(CC(F)(CN)C2CC2)cc1
InChIInChI=1S/C15H22FN/c1-11(2)13-5-3-12(4-6-13)9-15(16,10-17)14-7-8-14/h3-6,11,14H,7-10,17H2,1-2H3
InChIKeySOFKXJHHFQBXRO-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.43
Rot. Bonds5

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

2-cyclopropyl-2-fluoro-3-(4-propan-2-ylphenyl)propan-1-amine (PubChem CID 112567251) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-cyclopropyl-2-fluoro-3-(4-propan-2-ylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-2-fluoro-3-(4-propan-2-ylphenyl)propan-1-amine
PubChem CID112567251
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name2-cyclopropyl-2-fluoro-3-(4-propan-2-ylphenyl)propan-1-amine
SMILESCC(C)c1ccc(CC(F)(CN)C2CC2)cc1
InChIInChI=1S/C15H22FN/c1-11(2)13-5-3-12(4-6-13)9-15(16,10-17)14-7-8-14/h3-6,11,14H,7-10,17H2,1-2H3
InChIKeySOFKXJHHFQBXRO-UHFFFAOYSA-N
XLogP3.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-chlorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine
CID 112567120
2-(aminomethyl)-2-(cyclopropylmethyl)-3-(4-propan-2-ylphenyl)propanoic acid
CID 106490120
2-fluoro-2-phenyl-3-(4-propan-2-ylphenyl)propan-1-amine
CID 115918116
2-cyclopropyl-2-methyl-3-(4-propan-2-ylphenyl)propanoic acid
CID 83154352
1-(2,2-dimethylpropyl)-4-propan-2-ylbenzene;methane
CID 166076943
2-(aminomethyl)-2-[(4-propan-2-ylphenyl)methyl]butan-1-ol
CID 106508285
1-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol
CID 65153807
2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-3-(4-propan-2-ylphenyl)propan-1-amine
CID 83150803
(1R)-1-[4-(2,2,2-trifluoroethyl)phenyl]ethanamine
CID 96762163
1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylpropan-2-amine
CID 84747850
2-methyl-2-N-[(4-propan-2-ylphenyl)methyl]propane-1,2-diamine
CID 115131859
[3,3-dimethyl-1-(4-propan-2-ylphenyl)butan-2-yl]hydrazine
CID 105202909

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-fluoro-3-(4-propan-2-ylphenyl)propan-1-amine?
The IUPAC name of 2-cyclopropyl-2-fluoro-3-(4-propan-2-ylphenyl)propan-1-amine (CID 112567251) is 2-cyclopropyl-2-fluoro-3-(4-propan-2-ylphenyl)propan-1-amine.
What is the SMILES notation for 2-cyclopropyl-2-fluoro-3-(4-propan-2-ylphenyl)propan-1-amine?
The canonical SMILES for 2-cyclopropyl-2-fluoro-3-(4-propan-2-ylphenyl)propan-1-amine is CC(C)c1ccc(CC(F)(CN)C2CC2)cc1.
What is the InChIKey of 2-cyclopropyl-2-fluoro-3-(4-propan-2-ylphenyl)propan-1-amine?
The InChIKey is SOFKXJHHFQBXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-11(2)13-5-3-12(4-6-13)9-15(16,10-17)14-7-8-14/h3-6,11,14H,7-10,17H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-fluoro-3-(4-propan-2-ylphenyl)propan-1-amine?
2-cyclopropyl-2-fluoro-3-(4-propan-2-ylphenyl)propan-1-amine has a molecular weight of 235.35 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-fluoro-3-(4-propan-2-ylphenyl)propan-1-amine is sourced from PubChem (CID 112567251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).