1-(4-chloro-3-fluorophenyl)-N,2-dimethylprop-2-en-1-amine

C11H13ClFN — CID 107994087

IUPAC1-(4-chloro-3-fluorophenyl)-N,2-dimethylprop-2-en-1-amine
SMILESC=C(C)C(NC)c1ccc(Cl)c(F)c1
InChIInChI=1S/C11H13ClFN/c1-7(2)11(14-3)8-4-5-9(12)10(13)6-8/h4-6,11,14H,1H2,2-3H3
InChIKeyUYGSAOJFMDBWQY-UHFFFAOYSA-N
MW213.68 g/mol
LogP3.32
Rot. Bonds3

About 1-(4-chloro-3-fluorophenyl)-N,2-dimethylprop-2-en-1-amine

1-(4-chloro-3-fluorophenyl)-N,2-dimethylprop-2-en-1-amine (PubChem CID 107994087) has the molecular formula C11H13ClFN and a molecular weight of 213.68 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-N,2-dimethylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-N,2-dimethylprop-2-en-1-amine
PubChem CID107994087
Molecular FormulaC11H13ClFN
Molecular Weight213.68 g/mol
Exact Mass213.07
IUPAC Name1-(4-chloro-3-fluorophenyl)-N,2-dimethylprop-2-en-1-amine
SMILESC=C(C)C(NC)c1ccc(Cl)c(F)c1
InChIInChI=1S/C11H13ClFN/c1-7(2)11(14-3)8-4-5-9(12)10(13)6-8/h4-6,11,14H,1H2,2-3H3
InChIKeyUYGSAOJFMDBWQY-UHFFFAOYSA-N
XLogP3.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.68
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluoro-3-methylphenyl)-N,2-dimethylprop-2-en-1-amine
CID 79189960
N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]hydroxylamine
CID 130054500
1-(3,4-dimethylphenyl)-N,2-dimethylprop-2-en-1-amine
CID 105005216
1-(4-chloro-3-fluorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 107991696
1-(4-chloro-3-fluorophenyl)-2-(methylamino)ethanol
CID 62773520
1-(4-chloro-3-fluorophenyl)-N-methylethane-1,2-diamine
CID 62066014
N,2-dimethyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 105005111
1-(4-chloro-3-fluorophenyl)-4-(methylamino)butane-1,2-diol
CID 171889797
1-(4-chloro-3-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 107992985
1-(2,3-difluorophenyl)-N,2-dimethylprop-2-en-1-amine
CID 105005147
1-(4-chloro-3-fluorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 107998783
1-(4-chloro-3-fluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 107991860

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-N,2-dimethylprop-2-en-1-amine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-N,2-dimethylprop-2-en-1-amine (CID 107994087) is 1-(4-chloro-3-fluorophenyl)-N,2-dimethylprop-2-en-1-amine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-N,2-dimethylprop-2-en-1-amine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-N,2-dimethylprop-2-en-1-amine is C=C(C)C(NC)c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-N,2-dimethylprop-2-en-1-amine?
The InChIKey is UYGSAOJFMDBWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN/c1-7(2)11(14-3)8-4-5-9(12)10(13)6-8/h4-6,11,14H,1H2,2-3H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-N,2-dimethylprop-2-en-1-amine?
1-(4-chloro-3-fluorophenyl)-N,2-dimethylprop-2-en-1-amine has a molecular weight of 213.68 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-N,2-dimethylprop-2-en-1-amine is sourced from PubChem (CID 107994087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).