(E)-4-(2,3-dichlorophenyl)-N-propylbut-3-en-2-amine

C13H17Cl2N — CID 103092632

IUPAC(E)-4-(2,3-dichlorophenyl)-N-propylbut-3-en-2-amine
SMILESCCCNC(C)/C=C/c1cccc(Cl)c1Cl
InChIInChI=1S/C13H17Cl2N/c1-3-9-16-10(2)7-8-11-5-4-6-12(14)13(11)15/h4-8,10,16H,3,9H2,1-2H3/b8-7+
InChIKeyYKBYYBWHBWKCHL-BQYQJAHWSA-N
MW258.19 g/mol
LogP4.39
Rot. Bonds5

About (E)-4-(2,3-dichlorophenyl)-N-propylbut-3-en-2-amine

(E)-4-(2,3-dichlorophenyl)-N-propylbut-3-en-2-amine (PubChem CID 103092632) has the molecular formula C13H17Cl2N and a molecular weight of 258.19 g/mol. Its IUPAC name is (E)-4-(2,3-dichlorophenyl)-N-propylbut-3-en-2-amine.

Molecular Properties

Compound Name(E)-4-(2,3-dichlorophenyl)-N-propylbut-3-en-2-amine
PubChem CID103092632
Molecular FormulaC13H17Cl2N
Molecular Weight258.19 g/mol
Exact Mass257.07
IUPAC Name(E)-4-(2,3-dichlorophenyl)-N-propylbut-3-en-2-amine
SMILESCCCNC(C)/C=C/c1cccc(Cl)c1Cl
InChIInChI=1S/C13H17Cl2N/c1-3-9-16-10(2)7-8-11-5-4-6-12(14)13(11)15/h4-8,10,16H,3,9H2,1-2H3/b8-7+
InChIKeyYKBYYBWHBWKCHL-BQYQJAHWSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-dichlorophenyl)-2-methyl-N-propylpropan-1-amine
CID 114978392
1-(2,3-dichlorophenyl)-N-propylpropan-1-amine
CID 62790875
1-(2,3-dichlorophenyl)-N,2-dipropylpentan-1-amine
CID 115851225
N-[(2,3-dichlorophenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
CID 104790416
N-[1-[4-(2,3-dichlorophenyl)phenyl]ethyl]propan-1-amine
CID 63423946
2-[(2,3-dichlorophenyl)methylidene]-N,3-dimethylbutan-1-amine
CID 79338600
2-(2,3-dichlorophenyl)-2-(propylamino)ethanol
CID 61054379
(E)-4-(3-methylthiophen-2-yl)-N-propylbut-3-en-2-amine
CID 103092879
1-(2,3-dichlorophenyl)-N-propylbutan-2-amine
CID 107308434
1,2-dichloro-3-(3-chloroprop-1-enyl)benzene
CID 79334722
(E)-4-(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-propylbut-3-en-2-amine
CID 103092834
N-[(2,3-dichlorophenyl)-(4-methylsulfanylphenyl)methyl]propan-1-amine
CID 115851242

Frequently Asked Questions

What is the IUPAC name of (E)-4-(2,3-dichlorophenyl)-N-propylbut-3-en-2-amine?
The IUPAC name of (E)-4-(2,3-dichlorophenyl)-N-propylbut-3-en-2-amine (CID 103092632) is (E)-4-(2,3-dichlorophenyl)-N-propylbut-3-en-2-amine.
What is the SMILES notation for (E)-4-(2,3-dichlorophenyl)-N-propylbut-3-en-2-amine?
The canonical SMILES for (E)-4-(2,3-dichlorophenyl)-N-propylbut-3-en-2-amine is CCCNC(C)/C=C/c1cccc(Cl)c1Cl.
What is the InChIKey of (E)-4-(2,3-dichlorophenyl)-N-propylbut-3-en-2-amine?
The InChIKey is YKBYYBWHBWKCHL-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H17Cl2N/c1-3-9-16-10(2)7-8-11-5-4-6-12(14)13(11)15/h4-8,10,16H,3,9H2,1-2H3/b8-7+.
What are the key properties of (E)-4-(2,3-dichlorophenyl)-N-propylbut-3-en-2-amine?
(E)-4-(2,3-dichlorophenyl)-N-propylbut-3-en-2-amine has a molecular weight of 258.19 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2,3-dichlorophenyl)-N-propylbut-3-en-2-amine is sourced from PubChem (CID 103092632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).