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

C11H13ClFN — CID 114489363

IUPAC(E)-3-(3-chloro-2-fluorophenyl)-N,2-dimethylprop-2-en-1-amine
SMILESCNC/C(C)=C/c1cccc(Cl)c1F
InChIInChI=1S/C11H13ClFN/c1-8(7-14-2)6-9-4-3-5-10(12)11(9)13/h3-6,14H,7H2,1-2H3/b8-6+
InChIKeyJFSVQWULWHBKNS-SOFGYWHQSA-N
MW213.68 g/mol
LogP3.10
Rot. Bonds3

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

(E)-3-(3-chloro-2-fluorophenyl)-N,2-dimethylprop-2-en-1-amine (PubChem CID 114489363) has the molecular formula C11H13ClFN and a molecular weight of 213.68 g/mol. Its IUPAC name is (E)-3-(3-chloro-2-fluorophenyl)-N,2-dimethylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(3-chloro-2-fluorophenyl)-N,2-dimethylprop-2-en-1-amine
PubChem CID114489363
Molecular FormulaC11H13ClFN
Molecular Weight213.68 g/mol
Exact Mass213.07
IUPAC Name(E)-3-(3-chloro-2-fluorophenyl)-N,2-dimethylprop-2-en-1-amine
SMILESCNC/C(C)=C/c1cccc(Cl)c1F
InChIInChI=1S/C11H13ClFN/c1-8(7-14-2)6-9-4-3-5-10(12)11(9)13/h3-6,14H,7H2,1-2H3/b8-6+
InChIKeyJFSVQWULWHBKNS-SOFGYWHQSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(Z)-3-(3-chloro-2-fluorophenyl)-2-methylprop-2-en-1-ol
CID 114489311
(2E)-2-[(3-chloro-2-fluorophenyl)methylidene]-N-ethylbutan-1-amine
CID 114489335
(E)-3-(3-chloro-2-fluorophenyl)-2-methylprop-2-enoic acid
CID 122235620
3-(3-chlorophenyl)-N,2-dimethylprop-2-en-1-amine
CID 79340878
N,2-dimethyl-3-quinolin-8-ylprop-2-en-1-amine
CID 79340260
3-chloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-fluoroaniline
CID 106437425
2-[(2,3-dichlorophenyl)methylidene]-N,3-dimethylbutan-1-amine
CID 79338600
2-[(2,3-dichlorophenyl)methylidene]-N-methylbutan-1-amine
CID 79328932
3-(3-chloro-2-methylphenyl)-N-methylprop-2-en-1-amine
CID 169473159
(E)-3-(3-chloro-2-fluorophenyl)-N-propan-2-ylprop-2-en-1-amine
CID 114489355
3-(3-chloro-2-fluorophenyl)-2-cyanoprop-2-enamide
CID 57063759
3-(3-bromophenyl)-N,2-dimethylprop-2-en-1-amine
CID 79340471

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-chloro-2-fluorophenyl)-N,2-dimethylprop-2-en-1-amine?
The IUPAC name of (E)-3-(3-chloro-2-fluorophenyl)-N,2-dimethylprop-2-en-1-amine (CID 114489363) is (E)-3-(3-chloro-2-fluorophenyl)-N,2-dimethylprop-2-en-1-amine.
What is the SMILES notation for (E)-3-(3-chloro-2-fluorophenyl)-N,2-dimethylprop-2-en-1-amine?
The canonical SMILES for (E)-3-(3-chloro-2-fluorophenyl)-N,2-dimethylprop-2-en-1-amine is CNC/C(C)=C/c1cccc(Cl)c1F.
What is the InChIKey of (E)-3-(3-chloro-2-fluorophenyl)-N,2-dimethylprop-2-en-1-amine?
The InChIKey is JFSVQWULWHBKNS-SOFGYWHQSA-N. The full InChI is InChI=1S/C11H13ClFN/c1-8(7-14-2)6-9-4-3-5-10(12)11(9)13/h3-6,14H,7H2,1-2H3/b8-6+.
What are the key properties of (E)-3-(3-chloro-2-fluorophenyl)-N,2-dimethylprop-2-en-1-amine?
(E)-3-(3-chloro-2-fluorophenyl)-N,2-dimethylprop-2-en-1-amine has a molecular weight of 213.68 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-chloro-2-fluorophenyl)-N,2-dimethylprop-2-en-1-amine is sourced from PubChem (CID 114489363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).