5-(2-chloro-6-fluorophenyl)-4-methylpentan-2-amine

C12H17ClFN — CID 64721399

IUPAC5-(2-chloro-6-fluorophenyl)-4-methylpentan-2-amine
SMILESCC(N)CC(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C12H17ClFN/c1-8(6-9(2)15)7-10-11(13)4-3-5-12(10)14/h3-5,8-9H,6-7,15H2,1-2H3
InChIKeyAFELFSHBGLZPCN-UHFFFAOYSA-N
MW229.73 g/mol
LogP3.39
Rot. Bonds4

About 5-(2-chloro-6-fluorophenyl)-4-methylpentan-2-amine

5-(2-chloro-6-fluorophenyl)-4-methylpentan-2-amine (PubChem CID 64721399) has the molecular formula C12H17ClFN and a molecular weight of 229.73 g/mol. Its IUPAC name is 5-(2-chloro-6-fluorophenyl)-4-methylpentan-2-amine.

Molecular Properties

Compound Name5-(2-chloro-6-fluorophenyl)-4-methylpentan-2-amine
PubChem CID64721399
Molecular FormulaC12H17ClFN
Molecular Weight229.73 g/mol
Exact Mass229.10
IUPAC Name5-(2-chloro-6-fluorophenyl)-4-methylpentan-2-amine
SMILESCC(N)CC(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C12H17ClFN/c1-8(6-9(2)15)7-10-11(13)4-3-5-12(10)14/h3-5,8-9H,6-7,15H2,1-2H3
InChIKeyAFELFSHBGLZPCN-UHFFFAOYSA-N
XLogP3.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.73
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromo-2-methylpentyl)-1-chloro-3-fluorobenzene
CID 64720594
3-(2-chloro-6-fluorophenyl)-2-methylpropan-1-ol
CID 66059359
1-chloro-2-(2-chloropropyl)-3-fluorobenzene
CID 63016068
3-(2-chloro-6-fluorophenyl)-N,2-dimethylpropan-1-amine
CID 62531287
4-(2-chloro-6-fluorophenyl)-3-methylbutanethioamide
CID 83925258
1-(2-chloro-6-fluorophenyl)-3-propan-2-ylsulfanylpropan-2-amine
CID 65131589
(2S)-2-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol
CID 28804612
1-(2-chloro-6-fluorophenyl)-3-cyclopropylbutan-2-amine
CID 83153746
5-(2-chlorophenyl)-4-methylpentan-2-amine
CID 64719849
[1-(2-chloro-6-fluorophenyl)-4-methylheptan-2-yl]hydrazine
CID 105215968
(2S)-3-(2-chloro-6-fluorophenyl)-2-methylpropanoic acid
CID 42327266
2-(2-chloro-6-fluorophenyl)-1-cyclopropylethanamine
CID 61078474

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-6-fluorophenyl)-4-methylpentan-2-amine?
The IUPAC name of 5-(2-chloro-6-fluorophenyl)-4-methylpentan-2-amine (CID 64721399) is 5-(2-chloro-6-fluorophenyl)-4-methylpentan-2-amine.
What is the SMILES notation for 5-(2-chloro-6-fluorophenyl)-4-methylpentan-2-amine?
The canonical SMILES for 5-(2-chloro-6-fluorophenyl)-4-methylpentan-2-amine is CC(N)CC(C)Cc1c(F)cccc1Cl.
What is the InChIKey of 5-(2-chloro-6-fluorophenyl)-4-methylpentan-2-amine?
The InChIKey is AFELFSHBGLZPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFN/c1-8(6-9(2)15)7-10-11(13)4-3-5-12(10)14/h3-5,8-9H,6-7,15H2,1-2H3.
What are the key properties of 5-(2-chloro-6-fluorophenyl)-4-methylpentan-2-amine?
5-(2-chloro-6-fluorophenyl)-4-methylpentan-2-amine has a molecular weight of 229.73 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 5-(2-chloro-6-fluorophenyl)-4-methylpentan-2-amine is sourced from PubChem (CID 64721399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).