1-(3-fluoro-2-phenylbutyl)cyclopropan-1-amine

C13H18FN — CID 105460916

IUPAC1-(3-fluoro-2-phenylbutyl)cyclopropan-1-amine
SMILESCC(F)C(CC1(N)CC1)c1ccccc1
InChIInChI=1S/C13H18FN/c1-10(14)12(9-13(15)7-8-13)11-5-3-2-4-6-11/h2-6,10,12H,7-9,15H2,1H3
InChIKeyCECOPCBLGLFHBI-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.01
Rot. Bonds4

About 1-(3-fluoro-2-phenylbutyl)cyclopropan-1-amine

1-(3-fluoro-2-phenylbutyl)cyclopropan-1-amine (PubChem CID 105460916) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 1-(3-fluoro-2-phenylbutyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-2-phenylbutyl)cyclopropan-1-amine
PubChem CID105460916
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name1-(3-fluoro-2-phenylbutyl)cyclopropan-1-amine
SMILESCC(F)C(CC1(N)CC1)c1ccccc1
InChIInChI=1S/C13H18FN/c1-10(14)12(9-13(15)7-8-13)11-5-3-2-4-6-11/h2-6,10,12H,7-9,15H2,1H3
InChIKeyCECOPCBLGLFHBI-UHFFFAOYSA-N
XLogP3.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-dimethylbutan-2-ylbenzene;1-propylcyclopropan-1-amine
CID 144662822
1-(1-phenylethyl)cyclopropan-1-amine;hydrochloride
CID 138987875
3-fluorobutan-2-ylbenzene
CID 159211068
ethanamine;1-phenylethylbenzene
CID 19985218
1-[fluoro(phenyl)methyl]cyclohexan-1-amine
CID 105460950
CID 174377533
CID 174377533
3-phenyl-2-(4-propan-2-ylphenyl)butan-1-amine
CID 82140241
[(2S)-1-(difluoromethoxy)-3-methylbutan-2-yl]benzene
CID 118371685
2-fluoro-3-phenylbutan-1-amine
CID 126843894
4,4-difluoro-3-phenylbutan-1-amine
CID 115016853
2,2-dimethyl-N-(3-methyl-2-phenylbutyl)cyclopropan-1-amine
CID 107876110
1-(aminomethyl)-N-(1-phenylethyl)cyclopropan-1-amine
CID 106661264

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-phenylbutyl)cyclopropan-1-amine?
The IUPAC name of 1-(3-fluoro-2-phenylbutyl)cyclopropan-1-amine (CID 105460916) is 1-(3-fluoro-2-phenylbutyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(3-fluoro-2-phenylbutyl)cyclopropan-1-amine?
The canonical SMILES for 1-(3-fluoro-2-phenylbutyl)cyclopropan-1-amine is CC(F)C(CC1(N)CC1)c1ccccc1.
What is the InChIKey of 1-(3-fluoro-2-phenylbutyl)cyclopropan-1-amine?
The InChIKey is CECOPCBLGLFHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-10(14)12(9-13(15)7-8-13)11-5-3-2-4-6-11/h2-6,10,12H,7-9,15H2,1H3.
What are the key properties of 1-(3-fluoro-2-phenylbutyl)cyclopropan-1-amine?
1-(3-fluoro-2-phenylbutyl)cyclopropan-1-amine has a molecular weight of 207.29 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-phenylbutyl)cyclopropan-1-amine is sourced from PubChem (CID 105460916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).