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

C15H22FN — CID 81417663

IUPACN,2-diethyl-3-(4-fluoro-3-methylphenyl)cyclobutan-1-amine
SMILESCCNC1CC(c2ccc(F)c(C)c2)C1CC
InChIInChI=1S/C15H22FN/c1-4-12-13(9-15(12)17-5-2)11-6-7-14(16)10(3)8-11/h6-8,12-13,15,17H,4-5,9H2,1-3H3
InChIKeyPLZSFJAPMSVROQ-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.63
Rot. Bonds4

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

N,2-diethyl-3-(4-fluoro-3-methylphenyl)cyclobutan-1-amine (PubChem CID 81417663) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is N,2-diethyl-3-(4-fluoro-3-methylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN,2-diethyl-3-(4-fluoro-3-methylphenyl)cyclobutan-1-amine
PubChem CID81417663
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC NameN,2-diethyl-3-(4-fluoro-3-methylphenyl)cyclobutan-1-amine
SMILESCCNC1CC(c2ccc(F)c(C)c2)C1CC
InChIInChI=1S/C15H22FN/c1-4-12-13(9-15(12)17-5-2)11-6-7-14(16)10(3)8-11/h6-8,12-13,15,17H,4-5,9H2,1-3H3
InChIKeyPLZSFJAPMSVROQ-UHFFFAOYSA-N
XLogP3.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,2-diethyl-3-(4-fluorophenyl)cyclobutan-1-amine
CID 81416943
2-ethyl-3-(4-fluoro-3-methylphenyl)cyclobutan-1-ol
CID 81416761
3-(1,3-dihydro-2-benzofuran-5-yl)-N,2-diethylcyclobutan-1-amine
CID 81418387
3-(4-fluoro-3-methylphenyl)-N,2-dimethylcyclobutan-1-amine
CID 81418202
3-(3,4-dimethylphenyl)-N-ethyl-2-methylcyclobutan-1-amine
CID 81417795
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
(1R)-2-(4-fluoro-3-methylphenyl)cyclopropan-1-amine
CID 70211695
N,2-diethyl-3-(3-methoxy-4-methylsulfonylphenyl)cyclobutan-1-amine
CID 81416937
N,2-diethyl-3-(4-fluoro-3-methylphenyl)-2-methylcyclobutan-1-amine
CID 81417219
4-[2-(bromomethyl)cyclopropyl]-1-fluoro-2-methylbenzene
CID 81358874
2-ethyl-N-methyl-3-(3,4,5-trifluorophenyl)cyclobutan-1-amine
CID 81417135

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-3-(4-fluoro-3-methylphenyl)cyclobutan-1-amine?
The IUPAC name of N,2-diethyl-3-(4-fluoro-3-methylphenyl)cyclobutan-1-amine (CID 81417663) is N,2-diethyl-3-(4-fluoro-3-methylphenyl)cyclobutan-1-amine.
What is the SMILES notation for N,2-diethyl-3-(4-fluoro-3-methylphenyl)cyclobutan-1-amine?
The canonical SMILES for N,2-diethyl-3-(4-fluoro-3-methylphenyl)cyclobutan-1-amine is CCNC1CC(c2ccc(F)c(C)c2)C1CC.
What is the InChIKey of N,2-diethyl-3-(4-fluoro-3-methylphenyl)cyclobutan-1-amine?
The InChIKey is PLZSFJAPMSVROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-4-12-13(9-15(12)17-5-2)11-6-7-14(16)10(3)8-11/h6-8,12-13,15,17H,4-5,9H2,1-3H3.
What are the key properties of N,2-diethyl-3-(4-fluoro-3-methylphenyl)cyclobutan-1-amine?
N,2-diethyl-3-(4-fluoro-3-methylphenyl)cyclobutan-1-amine has a molecular weight of 235.35 g/mol, XLogP of 3.63, 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-fluoro-3-methylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 81417663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).