3-(2-chloro-4-fluorophenyl)-N,2,2-triethylcyclobutan-1-amine

C16H23ClFN — CID 81417966

IUPAC3-(2-chloro-4-fluorophenyl)-N,2,2-triethylcyclobutan-1-amine
SMILESCCNC1CC(c2ccc(F)cc2Cl)C1(CC)CC
InChIInChI=1S/C16H23ClFN/c1-4-16(5-2)13(10-15(16)19-6-3)12-8-7-11(18)9-14(12)17/h7-9,13,15,19H,4-6,10H2,1-3H3
InChIKeyZPPMZPWNCZKYJE-UHFFFAOYSA-N
MW283.82 g/mol
LogP4.75
Rot. Bonds5

About 3-(2-chloro-4-fluorophenyl)-N,2,2-triethylcyclobutan-1-amine

3-(2-chloro-4-fluorophenyl)-N,2,2-triethylcyclobutan-1-amine (PubChem CID 81417966) has the molecular formula C16H23ClFN and a molecular weight of 283.82 g/mol. Its IUPAC name is 3-(2-chloro-4-fluorophenyl)-N,2,2-triethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-chloro-4-fluorophenyl)-N,2,2-triethylcyclobutan-1-amine
PubChem CID81417966
Molecular FormulaC16H23ClFN
Molecular Weight283.82 g/mol
Exact Mass283.15
IUPAC Name3-(2-chloro-4-fluorophenyl)-N,2,2-triethylcyclobutan-1-amine
SMILESCCNC1CC(c2ccc(F)cc2Cl)C1(CC)CC
InChIInChI=1S/C16H23ClFN/c1-4-16(5-2)13(10-15(16)19-6-3)12-8-7-11(18)9-14(12)17/h7-9,13,15,19H,4-6,10H2,1-3H3
InChIKeyZPPMZPWNCZKYJE-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-bromophenyl)-N,2,2-triethylcyclobutan-1-amine
CID 81417448
N,2,2-triethyl-3-(4-fluorophenoxy)cyclobutan-1-amine
CID 66358535
N,2,2-triethyl-3-thiophen-3-ylcyclobutan-1-amine
CID 81416823
3-(1,3-dihydro-2-benzofuran-5-yl)-N,2,2-triethylcyclobutan-1-amine
CID 81417239
3-(5-bromo-2-fluorophenyl)-N,2-diethyl-2-methylcyclobutan-1-amine
CID 82973433
3-(2,6-difluorophenyl)-2,2-diethyl-N-propylcyclobutan-1-amine
CID 81421409
N,2,2-triethyl-3-(3-methylthiophen-2-yl)cyclobutan-1-amine
CID 81418073
2-(2-chloro-5-fluorophenyl)-N-ethylcyclohexan-1-amine
CID 105395830
2-chloro-1-cyclohexyl-4-fluorobenzene;N-ethyl-3-fluorooxan-4-amine
CID 153338593
N,2-diethyl-3-(4-fluoro-3-methylphenyl)-2-methylcyclobutan-1-amine
CID 81417219
2-chloro-1-[(3R)-4,4-difluoro-3-methylcyclohexyl]-4-fluorobenzene
CID 177192079
[(1S,2S)-2-(2-chloro-4-fluorophenyl)cyclopropyl]methanamine;hydrochloride
CID 44572165

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-fluorophenyl)-N,2,2-triethylcyclobutan-1-amine?
The IUPAC name of 3-(2-chloro-4-fluorophenyl)-N,2,2-triethylcyclobutan-1-amine (CID 81417966) is 3-(2-chloro-4-fluorophenyl)-N,2,2-triethylcyclobutan-1-amine.
What is the SMILES notation for 3-(2-chloro-4-fluorophenyl)-N,2,2-triethylcyclobutan-1-amine?
The canonical SMILES for 3-(2-chloro-4-fluorophenyl)-N,2,2-triethylcyclobutan-1-amine is CCNC1CC(c2ccc(F)cc2Cl)C1(CC)CC.
What is the InChIKey of 3-(2-chloro-4-fluorophenyl)-N,2,2-triethylcyclobutan-1-amine?
The InChIKey is ZPPMZPWNCZKYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFN/c1-4-16(5-2)13(10-15(16)19-6-3)12-8-7-11(18)9-14(12)17/h7-9,13,15,19H,4-6,10H2,1-3H3.
What are the key properties of 3-(2-chloro-4-fluorophenyl)-N,2,2-triethylcyclobutan-1-amine?
3-(2-chloro-4-fluorophenyl)-N,2,2-triethylcyclobutan-1-amine has a molecular weight of 283.82 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-fluorophenyl)-N,2,2-triethylcyclobutan-1-amine is sourced from PubChem (CID 81417966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).