1-(3,4-dichlorophenyl)-4-methylpent-4-en-1-amine

C12H15Cl2N — CID 114475615

IUPAC1-(3,4-dichlorophenyl)-4-methylpent-4-en-1-amine
SMILESC=C(C)CCC(N)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2N/c1-8(2)3-6-12(15)9-4-5-10(13)11(14)7-9/h4-5,7,12H,1,3,6,15H2,2H3
InChIKeyGCMQITOQHXVVNM-UHFFFAOYSA-N
MW244.16 g/mol
LogP4.35
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-4-methylpent-4-en-1-amine

1-(3,4-dichlorophenyl)-4-methylpent-4-en-1-amine (PubChem CID 114475615) has the molecular formula C12H15Cl2N and a molecular weight of 244.16 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-4-methylpent-4-en-1-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-4-methylpent-4-en-1-amine
PubChem CID114475615
Molecular FormulaC12H15Cl2N
Molecular Weight244.16 g/mol
Exact Mass243.06
IUPAC Name1-(3,4-dichlorophenyl)-4-methylpent-4-en-1-amine
SMILESC=C(C)CCC(N)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2N/c1-8(2)3-6-12(15)9-4-5-10(13)11(14)7-9/h4-5,7,12H,1,3,6,15H2,2H3
InChIKeyGCMQITOQHXVVNM-UHFFFAOYSA-N
XLogP4.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.16
LogP ≤ 54.35
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-(3,4-dichlorophenyl)-4-methylpent-4-enyl]hydrazine
CID 105257099
1-(3-chlorophenyl)-4-methylpent-4-en-1-amine
CID 114474120
(1S)-1-(3,4-dichlorophenyl)propane-1,3-diamine;hydrochloride
CID 171220884
(1S)-1-(3,4-dichlorophenyl)-3-fluoropropan-1-amine
CID 131260292
1-(3,4-dichlorophenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114475621
(2S)-2-amino-2-(3,4-dichlorophenyl)ethanol;hydrochloride
CID 74889971
1-(3,5-difluorophenyl)-4-methylpent-4-en-1-amine
CID 114474387
(1R)-1-(3-chloro-4-methylphenyl)-3-methylbut-3-en-1-amine
CID 130856721
(1R)-1-(4-chloro-3-methylphenyl)-3-methylbut-3-en-1-amine
CID 131625308
1-(3,4-dichlorophenyl)-3-methylbutan-1-amine
CID 43344490
(4R)-4-amino-4-(3,4-dichlorophenyl)butanenitrile
CID 86705554
[1-(4-chloro-3-methylphenyl)-4-methylpent-4-enyl]hydrazine
CID 105335848

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-4-methylpent-4-en-1-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-4-methylpent-4-en-1-amine (CID 114475615) is 1-(3,4-dichlorophenyl)-4-methylpent-4-en-1-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-4-methylpent-4-en-1-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-4-methylpent-4-en-1-amine is C=C(C)CCC(N)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-4-methylpent-4-en-1-amine?
The InChIKey is GCMQITOQHXVVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N/c1-8(2)3-6-12(15)9-4-5-10(13)11(14)7-9/h4-5,7,12H,1,3,6,15H2,2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-4-methylpent-4-en-1-amine?
1-(3,4-dichlorophenyl)-4-methylpent-4-en-1-amine has a molecular weight of 244.16 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-4-methylpent-4-en-1-amine is sourced from PubChem (CID 114475615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).