2-(2,4-dichlorophenyl)-2-methylpent-4-en-1-amine

C12H15Cl2N — CID 117049327

IUPAC2-(2,4-dichlorophenyl)-2-methylpent-4-en-1-amine
SMILESC=CCC(C)(CN)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl2N/c1-3-6-12(2,8-15)10-5-4-9(13)7-11(10)14/h3-5,7H,1,6,8,15H2,2H3
InChIKeyTXYKLQJNPIHOTA-UHFFFAOYSA-N
MW244.17 g/mol
LogP3.79
Rot. Bonds4

About 2-(2,4-dichlorophenyl)-2-methylpent-4-en-1-amine

2-(2,4-dichlorophenyl)-2-methylpent-4-en-1-amine (PubChem CID 117049327) has the molecular formula C12H15Cl2N and a molecular weight of 244.17 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-2-methylpent-4-en-1-amine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-2-methylpent-4-en-1-amine
PubChem CID117049327
Molecular FormulaC12H15Cl2N
Molecular Weight244.17 g/mol
Exact Mass243.06
IUPAC Name2-(2,4-dichlorophenyl)-2-methylpent-4-en-1-amine
SMILESC=CCC(C)(CN)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl2N/c1-3-6-12(2,8-15)10-5-4-9(13)7-11(10)14/h3-5,7H,1,6,8,15H2,2H3
InChIKeyTXYKLQJNPIHOTA-UHFFFAOYSA-N
XLogP3.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(2,4-dichlorophenyl)-2-methylpent-4-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(2,4-dichlorophenyl)-2-fluoropropan-1-amine
CID 124567259
2-(2,4-dichlorophenyl)-2-prop-2-enylpent-4-enenitrile
CID 117060904
2,4-dichloro-1-(2-methylbut-3-en-2-yl)benzene
CID 131994334
2-(2,4-dichlorophenyl)propan-2-ol
CID 67803482
2-(2,4-dichlorophenyl)-2-propylpentan-1-amine
CID 63515518
3-(2,4-dichlorophenyl)pentan-3-amine
CID 60987757
(E)-2-(2,4-dichlorophenyl)pent-3-en-2-ol
CID 163987382
(2S)-2-(2,5-dichlorophenyl)butan-2-amine
CID 130054976
(2S)-2-(2,4-dichlorophenyl)-2-fluoropropanenitrile
CID 124567272
2-chloro-2-(2,4-dichlorophenyl)propanal
CID 20571053
4-(1-amino-2-methylpropan-2-yl)-3-chloroaniline
CID 69044603
(2R)-2-(2,4-dichlorophenyl)-3-methylbutan-2-amine
CID 131150424

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-2-methylpent-4-en-1-amine?
The IUPAC name of 2-(2,4-dichlorophenyl)-2-methylpent-4-en-1-amine (CID 117049327) is 2-(2,4-dichlorophenyl)-2-methylpent-4-en-1-amine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-2-methylpent-4-en-1-amine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-2-methylpent-4-en-1-amine is C=CCC(C)(CN)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-2-methylpent-4-en-1-amine?
The InChIKey is TXYKLQJNPIHOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N/c1-3-6-12(2,8-15)10-5-4-9(13)7-11(10)14/h3-5,7H,1,6,8,15H2,2H3.
What are the key properties of 2-(2,4-dichlorophenyl)-2-methylpent-4-en-1-amine?
2-(2,4-dichlorophenyl)-2-methylpent-4-en-1-amine has a molecular weight of 244.17 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-2-methylpent-4-en-1-amine is sourced from PubChem (CID 117049327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).