1-N-[1-(4-fluorophenyl)propan-2-yl]cyclobutane-1,3-diamine

C13H19FN2 — CID 80562355

IUPAC1-N-[1-(4-fluorophenyl)propan-2-yl]cyclobutane-1,3-diamine
SMILESCC(Cc1ccc(F)cc1)NC1CC(N)C1
InChIInChI=1S/C13H19FN2/c1-9(16-13-7-12(15)8-13)6-10-2-4-11(14)5-3-10/h2-5,9,12-13,16H,6-8,15H2,1H3
InChIKeyUKFDNWKNJRTFSF-UHFFFAOYSA-N
MW222.31 g/mol
LogP1.84
Rot. Bonds4

About 1-N-[1-(4-fluorophenyl)propan-2-yl]cyclobutane-1,3-diamine

1-N-[1-(4-fluorophenyl)propan-2-yl]cyclobutane-1,3-diamine (PubChem CID 80562355) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-N-[1-(4-fluorophenyl)propan-2-yl]cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-[1-(4-fluorophenyl)propan-2-yl]cyclobutane-1,3-diamine
PubChem CID80562355
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name1-N-[1-(4-fluorophenyl)propan-2-yl]cyclobutane-1,3-diamine
SMILESCC(Cc1ccc(F)cc1)NC1CC(N)C1
InChIInChI=1S/C13H19FN2/c1-9(16-13-7-12(15)8-13)6-10-2-4-11(14)5-3-10/h2-5,9,12-13,16H,6-8,15H2,1H3
InChIKeyUKFDNWKNJRTFSF-UHFFFAOYSA-N
XLogP1.84
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-[1-(4-fluorophenyl)propan-2-yl]cyclohexane-1,4-diamine
CID 79741782
N-[1-(4-fluorophenyl)propan-2-yl]-3-methylcyclobutan-1-amine
CID 115892356
N-[1-(4-fluorophenyl)propan-2-yl]-3-methoxycyclobutan-1-amine
CID 113429558
N-[1-(4-fluorophenyl)propan-2-yl]-3-phenylcyclobutan-1-amine
CID 62996135
N-[1-(4-fluorophenyl)propan-2-yl]cyclooctanamine
CID 63464519
1-N-[1-(2-methylphenyl)propan-2-yl]cyclobutane-1,3-diamine
CID 80560977
N-[1-(4-fluorophenyl)propan-2-yl]-4-propan-2-ylcycloheptan-1-amine
CID 65091426
N-[1-(4-fluorophenyl)propan-2-yl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64753673
N-[1-(4-fluorophenyl)propan-2-yl]piperidin-3-amine
CID 62997030
3-ethylsulfanyl-N-[1-(4-fluorophenyl)propan-2-yl]cyclopentan-1-amine
CID 103787278
N-[1-(4-fluorophenyl)propan-2-yl]-1-methylazepan-4-amine
CID 65074925
2,2-diethyl-N-[1-(4-fluorophenyl)propan-2-yl]oxan-4-amine
CID 115897071

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(4-fluorophenyl)propan-2-yl]cyclobutane-1,3-diamine?
The IUPAC name of 1-N-[1-(4-fluorophenyl)propan-2-yl]cyclobutane-1,3-diamine (CID 80562355) is 1-N-[1-(4-fluorophenyl)propan-2-yl]cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-[1-(4-fluorophenyl)propan-2-yl]cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-[1-(4-fluorophenyl)propan-2-yl]cyclobutane-1,3-diamine is CC(Cc1ccc(F)cc1)NC1CC(N)C1.
What is the InChIKey of 1-N-[1-(4-fluorophenyl)propan-2-yl]cyclobutane-1,3-diamine?
The InChIKey is UKFDNWKNJRTFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-9(16-13-7-12(15)8-13)6-10-2-4-11(14)5-3-10/h2-5,9,12-13,16H,6-8,15H2,1H3.
What are the key properties of 1-N-[1-(4-fluorophenyl)propan-2-yl]cyclobutane-1,3-diamine?
1-N-[1-(4-fluorophenyl)propan-2-yl]cyclobutane-1,3-diamine has a molecular weight of 222.31 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(4-fluorophenyl)propan-2-yl]cyclobutane-1,3-diamine is sourced from PubChem (CID 80562355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).