1-(2-chloro-6-fluorophenyl)-3-cyclopropylbutan-2-amine

C13H17ClFN — CID 83153746

IUPAC1-(2-chloro-6-fluorophenyl)-3-cyclopropylbutan-2-amine
SMILESCC(C(N)Cc1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C13H17ClFN/c1-8(9-5-6-9)13(16)7-10-11(14)3-2-4-12(10)15/h2-4,8-9,13H,5-7,16H2,1H3
InChIKeyQOMXVVGDRANSGC-UHFFFAOYSA-N
MW241.74 g/mol
LogP3.39
Rot. Bonds4

About 1-(2-chloro-6-fluorophenyl)-3-cyclopropylbutan-2-amine

1-(2-chloro-6-fluorophenyl)-3-cyclopropylbutan-2-amine (PubChem CID 83153746) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-3-cyclopropylbutan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-3-cyclopropylbutan-2-amine
PubChem CID83153746
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC Name1-(2-chloro-6-fluorophenyl)-3-cyclopropylbutan-2-amine
SMILESCC(C(N)Cc1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C13H17ClFN/c1-8(9-5-6-9)13(16)7-10-11(14)3-2-4-12(10)15/h2-4,8-9,13H,5-7,16H2,1H3
InChIKeyQOMXVVGDRANSGC-UHFFFAOYSA-N
XLogP3.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-6-fluorophenyl)-1-cyclopropylethanamine
CID 61078474
1-(4-tert-butylcyclohexyl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 63528053
2-(2-chloro-6-fluorophenyl)-1-(3-ethylcyclopentyl)ethanamine
CID 65412373
1-(2-bromo-3-fluorophenyl)-3-cyclopropylbutan-2-amine
CID 105020612
5-(2-chloro-6-fluorophenyl)-4-methylpentan-2-amine
CID 64721399
1-chloro-2-(2-chloropropyl)-3-fluorobenzene
CID 63016068
2-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanamine
CID 107001824
1-chloro-2-(2-chloro-3-cyclohexylpropyl)-3-fluorobenzene
CID 63517970
2-(2-chloro-6-fluorophenyl)-1-cyclopentyl-N-ethylethanamine
CID 61079872
2-[2-(4-tert-butylcyclohexyl)-2-chloroethyl]-1-chloro-3-fluorobenzene
CID 63518313
1-(2-chloro-6-fluorophenyl)-3-propan-2-ylsulfanylpropan-2-amine
CID 65131589
1-chloro-2-[2-chloro-2-(2-methylcyclopentyl)ethyl]-3-fluorobenzene
CID 107183519

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-cyclopropylbutan-2-amine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-cyclopropylbutan-2-amine (CID 83153746) is 1-(2-chloro-6-fluorophenyl)-3-cyclopropylbutan-2-amine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-3-cyclopropylbutan-2-amine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-3-cyclopropylbutan-2-amine is CC(C(N)Cc1c(F)cccc1Cl)C1CC1.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-3-cyclopropylbutan-2-amine?
The InChIKey is QOMXVVGDRANSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN/c1-8(9-5-6-9)13(16)7-10-11(14)3-2-4-12(10)15/h2-4,8-9,13H,5-7,16H2,1H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-3-cyclopropylbutan-2-amine?
1-(2-chloro-6-fluorophenyl)-3-cyclopropylbutan-2-amine has a molecular weight of 241.74 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-3-cyclopropylbutan-2-amine is sourced from PubChem (CID 83153746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).