3-(2-chloro-6-fluorophenyl)butan-2-amine

C10H13ClFN — CID 126977015

IUPAC3-(2-chloro-6-fluorophenyl)butan-2-amine
SMILESCC(N)C(C)c1c(F)cccc1Cl
InChIInChI=1S/C10H13ClFN/c1-6(7(2)13)10-8(11)4-3-5-9(10)12/h3-7H,13H2,1-2H3
InChIKeyJHFPNLNDOWIMMZ-UHFFFAOYSA-N
MW201.67 g/mol
LogP2.93
Rot. Bonds2

About 3-(2-chloro-6-fluorophenyl)butan-2-amine

3-(2-chloro-6-fluorophenyl)butan-2-amine (PubChem CID 126977015) has the molecular formula C10H13ClFN and a molecular weight of 201.67 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)butan-2-amine.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)butan-2-amine
PubChem CID126977015
Molecular FormulaC10H13ClFN
Molecular Weight201.67 g/mol
Exact Mass201.07
IUPAC Name3-(2-chloro-6-fluorophenyl)butan-2-amine
SMILESCC(N)C(C)c1c(F)cccc1Cl
InChIInChI=1S/C10H13ClFN/c1-6(7(2)13)10-8(11)4-3-5-9(10)12/h3-7H,13H2,1-2H3
InChIKeyJHFPNLNDOWIMMZ-UHFFFAOYSA-N
XLogP2.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.67
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-6-fluorophenyl)ethanamine
CID 53394777
2-[1-(2-chloro-6-fluorophenyl)ethyl]propane-1,3-diamine
CID 83925233
1-(2-chloro-6-fluorophenyl)-2-phenylpropan-1-amine
CID 114275421
(1R,2S)-1-amino-1-(2-chloro-6-fluorophenyl)propan-2-ol;hydrochloride
CID 171160070
1-(2-chloro-6-fluorophenyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 82299762
(1S)-1-(2-chloro-6-fluorophenyl)-2-fluoroethanamine
CID 124707714
(2R)-2-amino-2-(2-chloro-6-fluorophenyl)acetonitrile
CID 28700571
2,4-bis(2-chloro-6-fluorophenyl)pentan-3-one
CID 151106233
4-(2-chloro-6-fluorophenyl)pentan-1-amine
CID 83925264
(3S)-3-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol;hydrochloride
CID 171219710
(2-chloro-6-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
CID 105041728
3-(2-chloro-6-fluorophenyl)-2-methyl-N-propylbutan-1-amine
CID 114275307

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)butan-2-amine?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)butan-2-amine (CID 126977015) is 3-(2-chloro-6-fluorophenyl)butan-2-amine.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)butan-2-amine?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)butan-2-amine is CC(N)C(C)c1c(F)cccc1Cl.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)butan-2-amine?
The InChIKey is JHFPNLNDOWIMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN/c1-6(7(2)13)10-8(11)4-3-5-9(10)12/h3-7H,13H2,1-2H3.
What are the key properties of 3-(2-chloro-6-fluorophenyl)butan-2-amine?
3-(2-chloro-6-fluorophenyl)butan-2-amine has a molecular weight of 201.67 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)butan-2-amine is sourced from PubChem (CID 126977015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).