1-(2-chloro-4,5-dimethylphenyl)-2,2,3,3-tetrafluoro-N-methylpropan-1-amine

C12H14ClF4N — CID 115483964

IUPAC1-(2-chloro-4,5-dimethylphenyl)-2,2,3,3-tetrafluoro-N-methylpropan-1-amine
SMILESCNC(c1cc(C)c(C)cc1Cl)C(F)(F)C(F)F
InChIInChI=1S/C12H14ClF4N/c1-6-4-8(9(13)5-7(6)2)10(18-3)12(16,17)11(14)15/h4-5,10-11,18H,1-3H3
InChIKeyQSYBNKUZYOHLOW-UHFFFAOYSA-N
MW283.70 g/mol
LogP4.12
Rot. Bonds4

About 1-(2-chloro-4,5-dimethylphenyl)-2,2,3,3-tetrafluoro-N-methylpropan-1-amine

1-(2-chloro-4,5-dimethylphenyl)-2,2,3,3-tetrafluoro-N-methylpropan-1-amine (PubChem CID 115483964) has the molecular formula C12H14ClF4N and a molecular weight of 283.70 g/mol. Its IUPAC name is 1-(2-chloro-4,5-dimethylphenyl)-2,2,3,3-tetrafluoro-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-4,5-dimethylphenyl)-2,2,3,3-tetrafluoro-N-methylpropan-1-amine
PubChem CID115483964
Molecular FormulaC12H14ClF4N
Molecular Weight283.70 g/mol
Exact Mass283.08
IUPAC Name1-(2-chloro-4,5-dimethylphenyl)-2,2,3,3-tetrafluoro-N-methylpropan-1-amine
SMILESCNC(c1cc(C)c(C)cc1Cl)C(F)(F)C(F)F
InChIInChI=1S/C12H14ClF4N/c1-6-4-8(9(13)5-7(6)2)10(18-3)12(16,17)11(14)15/h4-5,10-11,18H,1-3H3
InChIKeyQSYBNKUZYOHLOW-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.70
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloro-4,5-dimethylphenyl)-2,2,2-trifluoro-N-methylethanamine
CID 115483827
1-[2,4-di(propan-2-yl)phenyl]-2,2,3,3-tetrafluoro-N-methylpropan-1-amine
CID 79647158
2,2,3,3-tetrafluoro-N-methyl-1-(2,3,4-trimethoxyphenyl)propan-1-amine
CID 79644822
1-(4-chloro-2,5-dimethylphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
CID 103309678
1-(2-chloro-4,5-dimethylphenyl)-1-(2-chloro-4-fluorophenyl)-N-methylmethanamine
CID 115483862
1-(2-chloro-4,5-dimethylphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 115483965
1-(2-chloro-4,5-dimethylphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 113319429
1-(2,4-dichlorophenyl)-2,2,2-trifluoro-N-methylethanamine
CID 61271013
1-(2-chloro-4,5-dimethylphenyl)-N,4-dimethylpentan-1-amine
CID 113319435
1-(2-chloro-4,5-dimethylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 115483934
1-(1-bromo-2,2-dimethylpropyl)-2-chloro-4,5-dimethylbenzene
CID 115484786
2,2,3,3-tetrafluoro-N-methyl-1-(2-methylnaphthalen-1-yl)propan-1-amine
CID 81432025

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,5-dimethylphenyl)-2,2,3,3-tetrafluoro-N-methylpropan-1-amine?
The IUPAC name of 1-(2-chloro-4,5-dimethylphenyl)-2,2,3,3-tetrafluoro-N-methylpropan-1-amine (CID 115483964) is 1-(2-chloro-4,5-dimethylphenyl)-2,2,3,3-tetrafluoro-N-methylpropan-1-amine.
What is the SMILES notation for 1-(2-chloro-4,5-dimethylphenyl)-2,2,3,3-tetrafluoro-N-methylpropan-1-amine?
The canonical SMILES for 1-(2-chloro-4,5-dimethylphenyl)-2,2,3,3-tetrafluoro-N-methylpropan-1-amine is CNC(c1cc(C)c(C)cc1Cl)C(F)(F)C(F)F.
What is the InChIKey of 1-(2-chloro-4,5-dimethylphenyl)-2,2,3,3-tetrafluoro-N-methylpropan-1-amine?
The InChIKey is QSYBNKUZYOHLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF4N/c1-6-4-8(9(13)5-7(6)2)10(18-3)12(16,17)11(14)15/h4-5,10-11,18H,1-3H3.
What are the key properties of 1-(2-chloro-4,5-dimethylphenyl)-2,2,3,3-tetrafluoro-N-methylpropan-1-amine?
1-(2-chloro-4,5-dimethylphenyl)-2,2,3,3-tetrafluoro-N-methylpropan-1-amine has a molecular weight of 283.70 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,5-dimethylphenyl)-2,2,3,3-tetrafluoro-N-methylpropan-1-amine is sourced from PubChem (CID 115483964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).