1-(4-chloro-3-fluorophenyl)-3-cyclobutyl-N-ethylpropan-2-amine

C15H21ClFN — CID 114013343

IUPAC1-(4-chloro-3-fluorophenyl)-3-cyclobutyl-N-ethylpropan-2-amine
SMILESCCNC(Cc1ccc(Cl)c(F)c1)CC1CCC1
InChIInChI=1S/C15H21ClFN/c1-2-18-13(8-11-4-3-5-11)9-12-6-7-14(16)15(17)10-12/h6-7,10-11,13,18H,2-5,8-9H2,1H3
InChIKeySYTABLDFBINVSG-UHFFFAOYSA-N
MW269.79 g/mol
LogP4.19
Rot. Bonds6

About 1-(4-chloro-3-fluorophenyl)-3-cyclobutyl-N-ethylpropan-2-amine

1-(4-chloro-3-fluorophenyl)-3-cyclobutyl-N-ethylpropan-2-amine (PubChem CID 114013343) has the molecular formula C15H21ClFN and a molecular weight of 269.79 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-3-cyclobutyl-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-3-cyclobutyl-N-ethylpropan-2-amine
PubChem CID114013343
Molecular FormulaC15H21ClFN
Molecular Weight269.79 g/mol
Exact Mass269.13
IUPAC Name1-(4-chloro-3-fluorophenyl)-3-cyclobutyl-N-ethylpropan-2-amine
SMILESCCNC(Cc1ccc(Cl)c(F)c1)CC1CCC1
InChIInChI=1S/C15H21ClFN/c1-2-18-13(8-11-4-3-5-11)9-12-6-7-14(16)15(17)10-12/h6-7,10-11,13,18H,2-5,8-9H2,1H3
InChIKeySYTABLDFBINVSG-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(4-chloro-3-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine
CID 107895453
1-(4-chloro-3-fluorophenyl)-N-ethylbutan-2-amine
CID 107884533
1-(4-chloro-3-fluorophenyl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine
CID 107884779
1-(4-chloro-3-fluorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 107884664
1-(4-chloro-3-fluorophenyl)-N-ethyl-4-methylpentan-2-amine
CID 114012691
1-cyclobutyl-N-ethyl-3-(4-methylphenyl)propan-2-amine
CID 65458139
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine
CID 107892586
1-(4-chloro-3-fluorophenyl)-N-ethyl-3-ethylsulfanylpropan-2-amine
CID 114012714
1-(4-bromophenyl)-3-(4-chloro-3-fluorophenyl)-N-ethylpropan-2-amine
CID 107884489
1-(3-chloro-4-fluorophenyl)-4-cyclopentyl-N-ethylbutan-2-amine
CID 103043472
1-(4-chloro-3-fluorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 107884568
1-(4-tert-butylphenyl)-3-cyclobutyl-N-ethylpropan-2-amine
CID 103168468

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-cyclobutyl-N-ethylpropan-2-amine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-cyclobutyl-N-ethylpropan-2-amine (CID 114013343) is 1-(4-chloro-3-fluorophenyl)-3-cyclobutyl-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-3-cyclobutyl-N-ethylpropan-2-amine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-3-cyclobutyl-N-ethylpropan-2-amine is CCNC(Cc1ccc(Cl)c(F)c1)CC1CCC1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-3-cyclobutyl-N-ethylpropan-2-amine?
The InChIKey is SYTABLDFBINVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN/c1-2-18-13(8-11-4-3-5-11)9-12-6-7-14(16)15(17)10-12/h6-7,10-11,13,18H,2-5,8-9H2,1H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-3-cyclobutyl-N-ethylpropan-2-amine?
1-(4-chloro-3-fluorophenyl)-3-cyclobutyl-N-ethylpropan-2-amine has a molecular weight of 269.79 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-3-cyclobutyl-N-ethylpropan-2-amine is sourced from PubChem (CID 114013343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).