1-(3,4-dichlorophenyl)-N-methylhex-5-en-1-amine

C13H17Cl2N — CID 81491489

IUPAC1-(3,4-dichlorophenyl)-N-methylhex-5-en-1-amine
SMILESC=CCCCC(NC)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H17Cl2N/c1-3-4-5-6-13(16-2)10-7-8-11(14)12(15)9-10/h3,7-9,13,16H,1,4-6H2,2H3
InChIKeyHTOGHWBPIZKTNF-UHFFFAOYSA-N
MW258.19 g/mol
LogP4.61
Rot. Bonds6

About 1-(3,4-dichlorophenyl)-N-methylhex-5-en-1-amine

1-(3,4-dichlorophenyl)-N-methylhex-5-en-1-amine (PubChem CID 81491489) has the molecular formula C13H17Cl2N and a molecular weight of 258.19 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-methylhex-5-en-1-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-methylhex-5-en-1-amine
PubChem CID81491489
Molecular FormulaC13H17Cl2N
Molecular Weight258.19 g/mol
Exact Mass257.07
IUPAC Name1-(3,4-dichlorophenyl)-N-methylhex-5-en-1-amine
SMILESC=CCCCC(NC)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H17Cl2N/c1-3-4-5-6-13(16-2)10-7-8-11(14)12(15)9-10/h3,7-9,13,16H,1,4-6H2,2H3
InChIKeyHTOGHWBPIZKTNF-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(3,4-dichlorophenyl)-N-methylhex-5-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

1-(3-bromo-4-chlorophenyl)-N-methyloct-7-en-1-amine
CID 107009594
1-(3,4-dichlorophenyl)-N,N'-dimethylbutane-1,4-diamine
CID 116949498
1-(4-bromo-3-chlorophenyl)-N-methylpent-4-en-1-amine
CID 104987729
1-(4-bromo-3-methylphenyl)-N-methylhex-5-en-1-amine
CID 104986986
3-(3,4-dichlorophenyl)-3-(methylamino)propan-1-ol
CID 64814917
N-methyl-1-(6-methyl-3-pyridinyl)hex-5-en-1-amine
CID 105153170
1-(3-bromo-5-chlorophenyl)-N-methylhex-5-en-1-amine
CID 107945974
1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 43486460
1-(3-chloro-4-fluorophenyl)hex-5-enylhydrazine
CID 105218048
1-(3,4-dichlorophenyl)-N-methylhex-4-yn-1-amine
CID 104807089
1-(3,4-dichlorophenyl)-N,N'-dimethylethane-1,2-diamine
CID 116947987
1-(3-chloro-2-methylphenyl)-N-methylhex-5-en-1-amine
CID 107102445

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-methylhex-5-en-1-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-methylhex-5-en-1-amine (CID 81491489) is 1-(3,4-dichlorophenyl)-N-methylhex-5-en-1-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-methylhex-5-en-1-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-methylhex-5-en-1-amine is C=CCCCC(NC)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-methylhex-5-en-1-amine?
The InChIKey is HTOGHWBPIZKTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N/c1-3-4-5-6-13(16-2)10-7-8-11(14)12(15)9-10/h3,7-9,13,16H,1,4-6H2,2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-methylhex-5-en-1-amine?
1-(3,4-dichlorophenyl)-N-methylhex-5-en-1-amine has a molecular weight of 258.19 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-methylhex-5-en-1-amine is sourced from PubChem (CID 81491489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).