1-(2,5-dichlorophenyl)-N-methylpent-4-en-2-amine

C12H15Cl2N — CID 116660621

IUPAC1-(2,5-dichlorophenyl)-N-methylpent-4-en-2-amine
SMILESC=CCC(Cc1cc(Cl)ccc1Cl)NC
InChIInChI=1S/C12H15Cl2N/c1-3-4-11(15-2)8-9-7-10(13)5-6-12(9)14/h3,5-7,11,15H,1,4,8H2,2H3
InChIKeyVBNLIBFMZIDNMR-UHFFFAOYSA-N
MW244.16 g/mol
LogP3.70
Rot. Bonds5

About 1-(2,5-dichlorophenyl)-N-methylpent-4-en-2-amine

1-(2,5-dichlorophenyl)-N-methylpent-4-en-2-amine (PubChem CID 116660621) has the molecular formula C12H15Cl2N and a molecular weight of 244.16 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-N-methylpent-4-en-2-amine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-N-methylpent-4-en-2-amine
PubChem CID116660621
Molecular FormulaC12H15Cl2N
Molecular Weight244.16 g/mol
Exact Mass243.06
IUPAC Name1-(2,5-dichlorophenyl)-N-methylpent-4-en-2-amine
SMILESC=CCC(Cc1cc(Cl)ccc1Cl)NC
InChIInChI=1S/C12H15Cl2N/c1-3-4-11(15-2)8-9-7-10(13)5-6-12(9)14/h3,5-7,11,15H,1,4,8H2,2H3
InChIKeyVBNLIBFMZIDNMR-UHFFFAOYSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.16
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2,5-dichlorophenyl)-N-methylpent-4-en-2-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

3-(2,5-dichlorophenyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine
CID 79092426
1-(2,5-dichlorophenyl)pent-4-en-2-amine
CID 116660415
1-(2,5-dichlorophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65321733
1-(2,5-dichlorophenyl)-N-methylnonan-2-amine
CID 115863293
1-(3-chloro-2-fluorophenyl)-N-methylpent-4-en-2-amine
CID 82805465
1-tert-butylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine
CID 65321783
1-(2,5-dichlorophenyl)-4-ethoxy-N-methylbutan-2-amine
CID 105151407
1-butan-2-ylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine
CID 65321928
1-(2,5-dichlorophenyl)-4-(2-methoxyethoxy)-N-methylbutan-2-amine
CID 102928141
1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66052512
1-cyclohexylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine
CID 65321248
N-[(2,4-dichlorophenyl)methyl]hepta-1,6-dien-4-amine
CID 88713574

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-N-methylpent-4-en-2-amine?
The IUPAC name of 1-(2,5-dichlorophenyl)-N-methylpent-4-en-2-amine (CID 116660621) is 1-(2,5-dichlorophenyl)-N-methylpent-4-en-2-amine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-N-methylpent-4-en-2-amine?
The canonical SMILES for 1-(2,5-dichlorophenyl)-N-methylpent-4-en-2-amine is C=CCC(Cc1cc(Cl)ccc1Cl)NC.
What is the InChIKey of 1-(2,5-dichlorophenyl)-N-methylpent-4-en-2-amine?
The InChIKey is VBNLIBFMZIDNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N/c1-3-4-11(15-2)8-9-7-10(13)5-6-12(9)14/h3,5-7,11,15H,1,4,8H2,2H3.
What are the key properties of 1-(2,5-dichlorophenyl)-N-methylpent-4-en-2-amine?
1-(2,5-dichlorophenyl)-N-methylpent-4-en-2-amine has a molecular weight of 244.16 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-N-methylpent-4-en-2-amine is sourced from PubChem (CID 116660621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).