1-(2-chloro-6-fluorophenyl)-4,4-dimethylpentan-3-amine

C13H19ClFN — CID 61495975

IUPAC1-(2-chloro-6-fluorophenyl)-4,4-dimethylpentan-3-amine
SMILESCC(C)(C)C(N)CCc1c(F)cccc1Cl
InChIInChI=1S/C13H19ClFN/c1-13(2,3)12(16)8-7-9-10(14)5-4-6-11(9)15/h4-6,12H,7-8,16H2,1-3H3
InChIKeyXPLDLGKURDDWQK-UHFFFAOYSA-N
MW243.75 g/mol
LogP3.79
Rot. Bonds3

About 1-(2-chloro-6-fluorophenyl)-4,4-dimethylpentan-3-amine

1-(2-chloro-6-fluorophenyl)-4,4-dimethylpentan-3-amine (PubChem CID 61495975) has the molecular formula C13H19ClFN and a molecular weight of 243.75 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-4,4-dimethylpentan-3-amine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-4,4-dimethylpentan-3-amine
PubChem CID61495975
Molecular FormulaC13H19ClFN
Molecular Weight243.75 g/mol
Exact Mass243.12
IUPAC Name1-(2-chloro-6-fluorophenyl)-4,4-dimethylpentan-3-amine
SMILESCC(C)(C)C(N)CCc1c(F)cccc1Cl
InChIInChI=1S/C13H19ClFN/c1-13(2,3)12(16)8-7-9-10(14)5-4-6-11(9)15/h4-6,12H,7-8,16H2,1-3H3
InChIKeyXPLDLGKURDDWQK-UHFFFAOYSA-N
XLogP3.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.75
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-chloro-6-fluorophenyl)-2-methylbutan-2-amine
CID 82113720
6-(2-chloro-6-fluorophenyl)hexan-3-amine
CID 64503216
2-(aminomethyl)-4-(2-chloro-6-fluorophenyl)butan-1-ol
CID 83925228
(1R,3R)-3-amino-1-(2-chloro-6-fluorophenyl)-4,4-dimethylpentan-1-ol
CID 171237644
1-[2-(2-chloro-6-fluorophenyl)ethyl]-1-methylhydrazine
CID 82282557
2-(2-bromoethyl)-1-chloro-3-fluorobenzene
CID 53403497
2-(2-chloro-6-fluorophenyl)-N-methylethanamine
CID 43163676
1-(2-chloro-6-fluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79060740
5-(2-chloro-6-fluorophenyl)-4-methylpentan-2-amine
CID 64721399
2-(4-bromohexyl)-1-chloro-3-fluorobenzene
CID 64507407
3-(2-chloro-6-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine
CID 63400371
4-amino-1-(2,6-dichlorophenyl)pentan-3-ol
CID 83924979

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-4,4-dimethylpentan-3-amine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-4,4-dimethylpentan-3-amine (CID 61495975) is 1-(2-chloro-6-fluorophenyl)-4,4-dimethylpentan-3-amine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-4,4-dimethylpentan-3-amine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-4,4-dimethylpentan-3-amine is CC(C)(C)C(N)CCc1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-4,4-dimethylpentan-3-amine?
The InChIKey is XPLDLGKURDDWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFN/c1-13(2,3)12(16)8-7-9-10(14)5-4-6-11(9)15/h4-6,12H,7-8,16H2,1-3H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-4,4-dimethylpentan-3-amine?
1-(2-chloro-6-fluorophenyl)-4,4-dimethylpentan-3-amine has a molecular weight of 243.75 g/mol, XLogP of 3.79, 3 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)-4,4-dimethylpentan-3-amine is sourced from PubChem (CID 61495975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).