1-(4-chloro-2-fluorophenyl)-2-methylprop-2-en-1-amine

C10H11ClFN — CID 79180085

IUPAC1-(4-chloro-2-fluorophenyl)-2-methylprop-2-en-1-amine
SMILESC=C(C)C(N)c1ccc(Cl)cc1F
InChIInChI=1S/C10H11ClFN/c1-6(2)10(13)8-4-3-7(11)5-9(8)12/h3-5,10H,1,13H2,2H3
InChIKeyIMKWNKKACMPDQK-UHFFFAOYSA-N
MW199.66 g/mol
LogP3.06
Rot. Bonds2

About 1-(4-chloro-2-fluorophenyl)-2-methylprop-2-en-1-amine

1-(4-chloro-2-fluorophenyl)-2-methylprop-2-en-1-amine (PubChem CID 79180085) has the molecular formula C10H11ClFN and a molecular weight of 199.66 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-2-methylprop-2-en-1-amine
PubChem CID79180085
Molecular FormulaC10H11ClFN
Molecular Weight199.66 g/mol
Exact Mass199.06
IUPAC Name1-(4-chloro-2-fluorophenyl)-2-methylprop-2-en-1-amine
SMILESC=C(C)C(N)c1ccc(Cl)cc1F
InChIInChI=1S/C10H11ClFN/c1-6(2)10(13)8-4-3-7(11)5-9(8)12/h3-5,10H,1,13H2,2H3
InChIKeyIMKWNKKACMPDQK-UHFFFAOYSA-N
XLogP3.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.66
LogP ≤ 53.06
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-chloro-2-methoxyphenyl)-2-methylprop-2-en-1-amine
CID 105005589
1-(4-chloro-2-fluorophenyl)-4-methylpent-4-en-1-amine
CID 114474679
1-(4-chloro-2-fluorophenyl)-3-methylbut-3-en-1-ol
CID 79177590
(1S,2R)-1-amino-1-(4-chloro-2-fluorophenyl)propan-2-ol;hydrochloride
CID 171161283
1-(4-chloro-2-fluorophenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 79177275
(1R)-1-(4-chloro-2-fluorophenyl)propan-1-amine
CID 58878078
1-(2-bromo-4-fluorophenyl)-2-methylprop-2-en-1-amine
CID 105005541
(4-chloro-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 62865509
(4-chloro-2-fluorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 43107900
4-amino-3-(4-chloro-2-fluorophenyl)butan-2-one;ethane
CID 143607316
(1R)-1-(4-chloro-2-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171222464
(1R)-1-(4-chloro-2-fluorophenyl)prop-2-yn-1-amine
CID 97000239

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-2-methylprop-2-en-1-amine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-2-methylprop-2-en-1-amine (CID 79180085) is 1-(4-chloro-2-fluorophenyl)-2-methylprop-2-en-1-amine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-2-methylprop-2-en-1-amine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-2-methylprop-2-en-1-amine is C=C(C)C(N)c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-2-methylprop-2-en-1-amine?
The InChIKey is IMKWNKKACMPDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN/c1-6(2)10(13)8-4-3-7(11)5-9(8)12/h3-5,10H,1,13H2,2H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-2-methylprop-2-en-1-amine?
1-(4-chloro-2-fluorophenyl)-2-methylprop-2-en-1-amine has a molecular weight of 199.66 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-2-methylprop-2-en-1-amine is sourced from PubChem (CID 79180085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).