1-[2-(2-fluoropropyl)phenyl]cyclobutan-1-amine

C13H18FN — CID 117296596

IUPAC1-[2-(2-fluoropropyl)phenyl]cyclobutan-1-amine
SMILESCC(F)Cc1ccccc1C1(N)CCC1
InChIInChI=1S/C13H18FN/c1-10(14)9-11-5-2-3-6-12(11)13(15)7-4-8-13/h2-3,5-6,10H,4,7-9,15H2,1H3
InChIKeyKYYUPPNGUJWCDV-UHFFFAOYSA-N
MW207.29 g/mol
LogP2.92
Rot. Bonds3

About 1-[2-(2-fluoropropyl)phenyl]cyclobutan-1-amine

1-[2-(2-fluoropropyl)phenyl]cyclobutan-1-amine (PubChem CID 117296596) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 1-[2-(2-fluoropropyl)phenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[2-(2-fluoropropyl)phenyl]cyclobutan-1-amine
PubChem CID117296596
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name1-[2-(2-fluoropropyl)phenyl]cyclobutan-1-amine
SMILESCC(F)Cc1ccccc1C1(N)CCC1
InChIInChI=1S/C13H18FN/c1-10(14)9-11-5-2-3-6-12(11)13(15)7-4-8-13/h2-3,5-6,10H,4,7-9,15H2,1H3
InChIKeyKYYUPPNGUJWCDV-UHFFFAOYSA-N
XLogP2.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(2-methoxypropyl)phenyl]cyclopentan-1-amine
CID 117112740
1-[1-[2-(2-fluoropropyl)phenyl]cyclopropyl]ethanamine
CID 117316840
1-[2-(aminomethyl)phenyl]cyclobutan-1-amine;formonitrile
CID 174949833
1-[2-(fluoromethyl)phenyl]cyclopropan-1-amine
CID 84764934
1-[2-(difluoromethyl)phenyl]cyclohexan-1-amine
CID 117323795
1-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclohexan-1-amine
CID 82026995
1-[2-(2-methylpropyl)phenyl]cyclobutan-1-ol
CID 174482339
1-[2-(1-methoxyethyl)phenyl]cyclobutan-1-amine
CID 117112865
1-[3-chloro-2-(1-fluoroethyl)phenyl]cyclobutan-1-amine
CID 117327875
3-[2-(1-aminocyclopropyl)phenyl]-2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 115055880
1-[2-(2,2-difluoroethyl)phenyl]cyclobutane-1-carboxylic acid
CID 117352883
3-[2-(1-aminocyclopropyl)phenyl]propanamide
CID 115023620

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoropropyl)phenyl]cyclobutan-1-amine?
The IUPAC name of 1-[2-(2-fluoropropyl)phenyl]cyclobutan-1-amine (CID 117296596) is 1-[2-(2-fluoropropyl)phenyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[2-(2-fluoropropyl)phenyl]cyclobutan-1-amine?
The canonical SMILES for 1-[2-(2-fluoropropyl)phenyl]cyclobutan-1-amine is CC(F)Cc1ccccc1C1(N)CCC1.
What is the InChIKey of 1-[2-(2-fluoropropyl)phenyl]cyclobutan-1-amine?
The InChIKey is KYYUPPNGUJWCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-10(14)9-11-5-2-3-6-12(11)13(15)7-4-8-13/h2-3,5-6,10H,4,7-9,15H2,1H3.
What are the key properties of 1-[2-(2-fluoropropyl)phenyl]cyclobutan-1-amine?
1-[2-(2-fluoropropyl)phenyl]cyclobutan-1-amine has a molecular weight of 207.29 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoropropyl)phenyl]cyclobutan-1-amine is sourced from PubChem (CID 117296596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).