1-[2-[3-(2-fluoropropan-2-yl)phenyl]ethyl]cyclopropan-1-amine

C14H20FN — CID 105478195

IUPAC1-[2-[3-(2-fluoropropan-2-yl)phenyl]ethyl]cyclopropan-1-amine
SMILESCC(C)(F)c1cccc(CCC2(N)CC2)c1
InChIInChI=1S/C14H20FN/c1-13(2,15)12-5-3-4-11(10-12)6-7-14(16)8-9-14/h3-5,10H,6-9,16H2,1-2H3
InChIKeyWIQJUMAMMJFIPA-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.32
Rot. Bonds4

About 1-[2-[3-(2-fluoropropan-2-yl)phenyl]ethyl]cyclopropan-1-amine

1-[2-[3-(2-fluoropropan-2-yl)phenyl]ethyl]cyclopropan-1-amine (PubChem CID 105478195) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 1-[2-[3-(2-fluoropropan-2-yl)phenyl]ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-[3-(2-fluoropropan-2-yl)phenyl]ethyl]cyclopropan-1-amine
PubChem CID105478195
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name1-[2-[3-(2-fluoropropan-2-yl)phenyl]ethyl]cyclopropan-1-amine
SMILESCC(C)(F)c1cccc(CCC2(N)CC2)c1
InChIInChI=1S/C14H20FN/c1-13(2,15)12-5-3-4-11(10-12)6-7-14(16)8-9-14/h3-5,10H,6-9,16H2,1-2H3
InChIKeyWIQJUMAMMJFIPA-UHFFFAOYSA-N
XLogP3.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[3-(2-fluoropropan-2-yl)phenyl]methyl]cyclopropan-1-ol
CID 117297832
1-[[3-(trifluoromethyl)phenyl]methyl]cycloheptan-1-amine
CID 62621040
2-[3-(trifluoromethyl)phenyl]ethanesulfonamide
CID 115047089
3-[2-(1-aminocyclopentyl)ethyl]phenol
CID 115074221
2,2-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 79834786
1-[2-[2-(1,1-difluoroethyl)phenyl]ethyl]cyclopropan-1-amine
CID 105483024
1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-ol
CID 117286468
1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-one
CID 84665532
2-[3-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]ethanamine
CID 115040642
1-[2-[3-(cyclopropylmethoxy)phenyl]ethyl]cyclopropan-1-amine
CID 105490106
[1-[3-(2-fluoropropan-2-yl)phenyl]cyclobutyl]methanamine
CID 117316856
4-(3-tert-butylphenyl)-2,2-difluorobutan-1-amine
CID 66581986

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(2-fluoropropan-2-yl)phenyl]ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-[3-(2-fluoropropan-2-yl)phenyl]ethyl]cyclopropan-1-amine (CID 105478195) is 1-[2-[3-(2-fluoropropan-2-yl)phenyl]ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-[3-(2-fluoropropan-2-yl)phenyl]ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-[3-(2-fluoropropan-2-yl)phenyl]ethyl]cyclopropan-1-amine is CC(C)(F)c1cccc(CCC2(N)CC2)c1.
What is the InChIKey of 1-[2-[3-(2-fluoropropan-2-yl)phenyl]ethyl]cyclopropan-1-amine?
The InChIKey is WIQJUMAMMJFIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-13(2,15)12-5-3-4-11(10-12)6-7-14(16)8-9-14/h3-5,10H,6-9,16H2,1-2H3.
What are the key properties of 1-[2-[3-(2-fluoropropan-2-yl)phenyl]ethyl]cyclopropan-1-amine?
1-[2-[3-(2-fluoropropan-2-yl)phenyl]ethyl]cyclopropan-1-amine has a molecular weight of 221.32 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(2-fluoropropan-2-yl)phenyl]ethyl]cyclopropan-1-amine is sourced from PubChem (CID 105478195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).