1-[2-(1-fluorocyclohexyl)phenyl]cyclopropan-1-amine

C15H20FN — CID 84726857

IUPAC1-[2-(1-fluorocyclohexyl)phenyl]cyclopropan-1-amine
SMILESNC1(c2ccccc2C2(F)CCCCC2)CC1
InChIInChI=1S/C15H20FN/c16-14(8-4-1-5-9-14)12-6-2-3-7-13(12)15(17)10-11-15/h2-3,6-7H,1,4-5,8-11,17H2
InChIKeyGQWMKYIKXSISSJ-UHFFFAOYSA-N
MW233.33 g/mol
LogP3.76
Rot. Bonds2

About 1-[2-(1-fluorocyclohexyl)phenyl]cyclopropan-1-amine

1-[2-(1-fluorocyclohexyl)phenyl]cyclopropan-1-amine (PubChem CID 84726857) has the molecular formula C15H20FN and a molecular weight of 233.33 g/mol. Its IUPAC name is 1-[2-(1-fluorocyclohexyl)phenyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(1-fluorocyclohexyl)phenyl]cyclopropan-1-amine
PubChem CID84726857
Molecular FormulaC15H20FN
Molecular Weight233.33 g/mol
Exact Mass233.16
IUPAC Name1-[2-(1-fluorocyclohexyl)phenyl]cyclopropan-1-amine
SMILESNC1(c2ccccc2C2(F)CCCCC2)CC1
InChIInChI=1S/C15H20FN/c16-14(8-4-1-5-9-14)12-6-2-3-7-13(12)15(17)10-11-15/h2-3,6-7H,1,4-5,8-11,17H2
InChIKeyGQWMKYIKXSISSJ-UHFFFAOYSA-N
XLogP3.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromophenyl)cycloheptan-1-amine
CID 62830904
1-[2-(difluoromethyl)phenyl]cyclohexan-1-amine
CID 117323795
1-(2-bromophenyl)cyclopentan-1-amine;hydrochloride
CID 171935306
4-fluoro-1-(2-fluorophenyl)-4-methylcyclohexan-1-amine
CID 115034996
4,4-difluoro-1-(2-methylphenyl)cyclohexan-1-amine;hydrochloride
CID 131637935
1-(2-tert-butylphenyl)cyclohexan-1-amine
CID 84794895
1-[2-(fluoromethyl)phenyl]cyclopropan-1-amine
CID 84764934
1-(2-cyclohexylphenyl)cyclohexan-1-amine
CID 117397261
1-(2-chloro-3-fluorophenyl)cyclohexan-1-amine
CID 117327946
(1-fluorocyclopentyl)benzene
CID 67593041
1-[2-(1-fluorocyclopentyl)phenyl]-N-methylmethanamine
CID 84722471
[1-[2-(1-aminocyclopropyl)phenyl]cyclopropyl]-(azepan-1-yl)methanone
CID 115055901

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-fluorocyclohexyl)phenyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(1-fluorocyclohexyl)phenyl]cyclopropan-1-amine (CID 84726857) is 1-[2-(1-fluorocyclohexyl)phenyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(1-fluorocyclohexyl)phenyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(1-fluorocyclohexyl)phenyl]cyclopropan-1-amine is NC1(c2ccccc2C2(F)CCCCC2)CC1.
What is the InChIKey of 1-[2-(1-fluorocyclohexyl)phenyl]cyclopropan-1-amine?
The InChIKey is GQWMKYIKXSISSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN/c16-14(8-4-1-5-9-14)12-6-2-3-7-13(12)15(17)10-11-15/h2-3,6-7H,1,4-5,8-11,17H2.
What are the key properties of 1-[2-(1-fluorocyclohexyl)phenyl]cyclopropan-1-amine?
1-[2-(1-fluorocyclohexyl)phenyl]cyclopropan-1-amine has a molecular weight of 233.33 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-fluorocyclohexyl)phenyl]cyclopropan-1-amine is sourced from PubChem (CID 84726857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).