1-(2-chloro-6-fluorophenyl)-N,3-dimethylbutan-2-amine

C12H17ClFN — CID 61079503

IUPAC1-(2-chloro-6-fluorophenyl)-N,3-dimethylbutan-2-amine
SMILESCNC(Cc1c(F)cccc1Cl)C(C)C
InChIInChI=1S/C12H17ClFN/c1-8(2)12(15-3)7-9-10(13)5-4-6-11(9)14/h4-6,8,12,15H,7H2,1-3H3
InChIKeySDGYQHBSOQRUTM-UHFFFAOYSA-N
MW229.73 g/mol
LogP3.27
Rot. Bonds4

About 1-(2-chloro-6-fluorophenyl)-N,3-dimethylbutan-2-amine

1-(2-chloro-6-fluorophenyl)-N,3-dimethylbutan-2-amine (PubChem CID 61079503) has the molecular formula C12H17ClFN and a molecular weight of 229.73 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-N,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-N,3-dimethylbutan-2-amine
PubChem CID61079503
Molecular FormulaC12H17ClFN
Molecular Weight229.73 g/mol
Exact Mass229.10
IUPAC Name1-(2-chloro-6-fluorophenyl)-N,3-dimethylbutan-2-amine
SMILESCNC(Cc1c(F)cccc1Cl)C(C)C
InChIInChI=1S/C12H17ClFN/c1-8(2)12(15-3)7-9-10(13)5-4-6-11(9)14/h4-6,8,12,15H,7H2,1-3H3
InChIKeySDGYQHBSOQRUTM-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-6-fluorophenyl)-3-methoxy-N,4,4-trimethylpentan-2-amine
CID 116724461
3-(2-chloro-6-fluorophenyl)-N,2-dimethylpropan-1-amine
CID 62531287
1-chloro-2-(2-chloropropyl)-3-fluorobenzene
CID 63016068
2-(2-chloro-6-fluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine
CID 61079857
1-(2-chloro-6-fluorophenyl)-3-ethoxy-N-methylhexan-2-amine
CID 116717748
3-(2-chloro-6-fluorophenyl)-2-methylpropan-1-ol
CID 66059359
[1-(2-chloro-6-fluorophenyl)-3-ethylpentan-2-yl]hydrazine
CID 105215890
1-(2-chloro-4,5-difluorophenyl)-2-(2-chloro-6-fluorophenyl)-N-methylethanamine
CID 107476331
2-(4-bromo-2-methylpentyl)-1-chloro-3-fluorobenzene
CID 64720594
5-(2-chloro-6-fluorophenyl)-4-methylpentan-2-amine
CID 64721399
1-(2-chloro-6-fluorophenyl)-3-propan-2-ylsulfanylpropan-2-amine
CID 65131589
1-(2-chloro-6-fluorophenyl)-5-methoxy-N,4-dimethylpentan-2-amine
CID 105106068

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-N,3-dimethylbutan-2-amine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-N,3-dimethylbutan-2-amine (CID 61079503) is 1-(2-chloro-6-fluorophenyl)-N,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-N,3-dimethylbutan-2-amine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-N,3-dimethylbutan-2-amine is CNC(Cc1c(F)cccc1Cl)C(C)C.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-N,3-dimethylbutan-2-amine?
The InChIKey is SDGYQHBSOQRUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFN/c1-8(2)12(15-3)7-9-10(13)5-4-6-11(9)14/h4-6,8,12,15H,7H2,1-3H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-N,3-dimethylbutan-2-amine?
1-(2-chloro-6-fluorophenyl)-N,3-dimethylbutan-2-amine has a molecular weight of 229.73 g/mol, XLogP of 3.27, 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)-N,3-dimethylbutan-2-amine is sourced from PubChem (CID 61079503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).