(E)-2-(2,4-dichlorophenyl)prop-1-en-1-amine

C9H9Cl2N — CID 163539195

IUPAC(E)-2-(2,4-dichlorophenyl)prop-1-en-1-amine
SMILESC/C(=C\N)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H9Cl2N/c1-6(5-12)8-3-2-7(10)4-9(8)11/h2-5H,12H2,1H3/b6-5+
InChIKeyDZPGVXXSAOIEAL-AATRIKPKSA-N
MW202.08 g/mol
LogP3.31
Rot. Bonds1

About (E)-2-(2,4-dichlorophenyl)prop-1-en-1-amine

(E)-2-(2,4-dichlorophenyl)prop-1-en-1-amine (PubChem CID 163539195) has the molecular formula C9H9Cl2N and a molecular weight of 202.08 g/mol. Its IUPAC name is (E)-2-(2,4-dichlorophenyl)prop-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-(2,4-dichlorophenyl)prop-1-en-1-amine
PubChem CID163539195
Molecular FormulaC9H9Cl2N
Molecular Weight202.08 g/mol
Exact Mass201.01
IUPAC Name(E)-2-(2,4-dichlorophenyl)prop-1-en-1-amine
SMILESC/C(=C\N)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H9Cl2N/c1-6(5-12)8-3-2-7(10)4-9(8)11/h2-5H,12H2,1H3/b6-5+
InChIKeyDZPGVXXSAOIEAL-AATRIKPKSA-N
XLogP3.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.08
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dichloro-1-[(E)-4-methylpent-2-en-2-yl]benzene;1-fluoro-2-[(E)-4-methylpent-2-en-2-yl]benzene;methane
CID 160939862
1-(2,4-dichlorophenyl)ethylidenecyanamide
CID 10856813
prop-1-en-2-yl 2,4-dichlorobenzoate
CID 89323884
1-(2,4-dichlorophenyl)(214C)ethanone
CID 10750217
sodium (2,4-dichlorobenzoyl)azanide
CID 143659946
(2,4-dichlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43344575
N-(4-acetamidophenyl)-2,4-dichlorobenzamide
CID 786004
1-(2,4-dichlorophenyl)-N-(2-methylpropyl)ethanimine
CID 19695097
1-(2,4-dichlorophenyl)-4-methylpent-4-en-1-one
CID 115802801
(E)-1-(2,4-dichlorophenyl)-3-(dimethylamino)prop-2-ene-1-thione
CID 134110710
1-[2-chloro-4-(2,4-dichlorophenyl)phenyl]ethanone
CID 82783018
3-(2,4-dichlorophenyl)-3-oxopropanal
CID 10889333

Frequently Asked Questions

What is the IUPAC name of (E)-2-(2,4-dichlorophenyl)prop-1-en-1-amine?
The IUPAC name of (E)-2-(2,4-dichlorophenyl)prop-1-en-1-amine (CID 163539195) is (E)-2-(2,4-dichlorophenyl)prop-1-en-1-amine.
What is the SMILES notation for (E)-2-(2,4-dichlorophenyl)prop-1-en-1-amine?
The canonical SMILES for (E)-2-(2,4-dichlorophenyl)prop-1-en-1-amine is C/C(=C\N)c1ccc(Cl)cc1Cl.
What is the InChIKey of (E)-2-(2,4-dichlorophenyl)prop-1-en-1-amine?
The InChIKey is DZPGVXXSAOIEAL-AATRIKPKSA-N. The full InChI is InChI=1S/C9H9Cl2N/c1-6(5-12)8-3-2-7(10)4-9(8)11/h2-5H,12H2,1H3/b6-5+.
What are the key properties of (E)-2-(2,4-dichlorophenyl)prop-1-en-1-amine?
(E)-2-(2,4-dichlorophenyl)prop-1-en-1-amine has a molecular weight of 202.08 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(2,4-dichlorophenyl)prop-1-en-1-amine is sourced from PubChem (CID 163539195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).