N,2-diethyl-3-(4-fluorophenyl)cyclobutan-1-amine

C14H20FN — CID 81416943

IUPACN,2-diethyl-3-(4-fluorophenyl)cyclobutan-1-amine
SMILESCCNC1CC(c2ccc(F)cc2)C1CC
InChIInChI=1S/C14H20FN/c1-3-12-13(9-14(12)16-4-2)10-5-7-11(15)8-6-10/h5-8,12-14,16H,3-4,9H2,1-2H3
InChIKeyGQBBFDXLOPQRBP-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.32
Rot. Bonds4

About N,2-diethyl-3-(4-fluorophenyl)cyclobutan-1-amine

N,2-diethyl-3-(4-fluorophenyl)cyclobutan-1-amine (PubChem CID 81416943) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is N,2-diethyl-3-(4-fluorophenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN,2-diethyl-3-(4-fluorophenyl)cyclobutan-1-amine
PubChem CID81416943
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC NameN,2-diethyl-3-(4-fluorophenyl)cyclobutan-1-amine
SMILESCCNC1CC(c2ccc(F)cc2)C1CC
InChIInChI=1S/C14H20FN/c1-3-12-13(9-14(12)16-4-2)10-5-7-11(15)8-6-10/h5-8,12-14,16H,3-4,9H2,1-2H3
InChIKeyGQBBFDXLOPQRBP-UHFFFAOYSA-N
XLogP3.32
TPSA12.03 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

N,2-diethyl-3-(4-fluoro-3-methylphenyl)cyclobutan-1-amine
CID 81417663
3-[4-(2,2-difluoroethylsulfanyl)phenyl]-N,2-diethylcyclobutan-1-amine
CID 81417149
3-(2-bromo-4-fluorophenyl)-N,2-diethylcyclobutan-1-amine
CID 114068499
3-(1,3-dihydro-2-benzofuran-5-yl)-N,2-diethylcyclobutan-1-amine
CID 81418387
3-(3,5-difluorophenyl)-2-ethyl-N-propylcyclobutan-1-amine
CID 81417778
N,2-diethyl-3-(3-methoxy-4-methylsulfonylphenyl)cyclobutan-1-amine
CID 81416937
2-ethyl-3-(5-fluoro-3-pyridinyl)-N-propylcyclobutan-1-amine
CID 81418199
2-ethyl-N-methyl-3-(3,4,5-trifluorophenyl)cyclobutan-1-amine
CID 81417135
N-benzyl-2-(4-fluorophenyl)cyclopropan-1-amine
CID 90204582
N-ethyl-3-(4-ethylphenyl)-2-methylcyclobutan-1-amine
CID 81417273
ethane;(2S,4R)-N-ethyl-2-(4-fluorophenyl)piperidin-4-amine;molecular hydrogen
CID 165141938
3-(4-fluorophenyl)-2-methyl-N-propylcyclopentan-1-amine
CID 64909010

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-3-(4-fluorophenyl)cyclobutan-1-amine?
The IUPAC name of N,2-diethyl-3-(4-fluorophenyl)cyclobutan-1-amine (CID 81416943) is N,2-diethyl-3-(4-fluorophenyl)cyclobutan-1-amine.
What is the SMILES notation for N,2-diethyl-3-(4-fluorophenyl)cyclobutan-1-amine?
The canonical SMILES for N,2-diethyl-3-(4-fluorophenyl)cyclobutan-1-amine is CCNC1CC(c2ccc(F)cc2)C1CC.
What is the InChIKey of N,2-diethyl-3-(4-fluorophenyl)cyclobutan-1-amine?
The InChIKey is GQBBFDXLOPQRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-3-12-13(9-14(12)16-4-2)10-5-7-11(15)8-6-10/h5-8,12-14,16H,3-4,9H2,1-2H3.
What are the key properties of N,2-diethyl-3-(4-fluorophenyl)cyclobutan-1-amine?
N,2-diethyl-3-(4-fluorophenyl)cyclobutan-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 N,2-diethyl-3-(4-fluorophenyl)cyclobutan-1-amine is sourced from PubChem (CID 81416943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).