N-[(2,4-dichlorophenyl)methyl]hepta-1,6-dien-4-amine

C14H17Cl2N — CID 88713574

IUPACN-[(2,4-dichlorophenyl)methyl]hepta-1,6-dien-4-amine
SMILESC=CCC(CC=C)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2N/c1-3-5-13(6-4-2)17-10-11-7-8-12(15)9-14(11)16/h3-4,7-9,13,17H,1-2,5-6,10H2
InChIKeyVEHCJUIYRJXNPU-UHFFFAOYSA-N
MW270.20 g/mol
LogP4.60
Rot. Bonds7

About N-[(2,4-dichlorophenyl)methyl]hepta-1,6-dien-4-amine

N-[(2,4-dichlorophenyl)methyl]hepta-1,6-dien-4-amine (PubChem CID 88713574) has the molecular formula C14H17Cl2N and a molecular weight of 270.20 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]hepta-1,6-dien-4-amine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]hepta-1,6-dien-4-amine
PubChem CID88713574
Molecular FormulaC14H17Cl2N
Molecular Weight270.20 g/mol
Exact Mass269.07
IUPAC NameN-[(2,4-dichlorophenyl)methyl]hepta-1,6-dien-4-amine
SMILESC=CCC(CC=C)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2N/c1-3-5-13(6-4-2)17-10-11-7-8-12(15)9-14(11)16/h3-4,7-9,13,17H,1-2,5-6,10H2
InChIKeyVEHCJUIYRJXNPU-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.20
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(2,4-dichlorophenyl)methyl]hepta-1,6-dien-4-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-[(2,4-dichlorophenyl)methylamino]ethanethiol
CID 143498139
3-[(2,4-dichlorophenyl)methylamino]pentanenitrile
CID 62646740
(2R)-2-[(2,4-dichlorophenyl)methylamino]propan-1-ol
CID 93082944
N-[(5-chloro-2-fluorophenyl)methyl]pent-4-en-2-amine
CID 115762436
1-(2,5-dichlorophenyl)-N-methylpent-4-en-2-amine
CID 116660621
N-[(2,4-dichlorophenyl)methyl]methanethioamide
CID 58279654
N-[(2,4-dichlorophenyl)methyl]-2-prop-2-enoxypropan-1-amine
CID 114264048
3-chloro-4-[(pent-4-en-2-ylamino)methyl]benzonitrile
CID 102665071
(1S)-N-[(2,4-dichlorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403890
1-(2,4-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839755
N-[(2,4-dichlorophenyl)methyl]-N-prop-2-enylprop-2-en-1-amine
CID 3936376
(1R)-1-(2-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 28520409

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]hepta-1,6-dien-4-amine?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]hepta-1,6-dien-4-amine (CID 88713574) is N-[(2,4-dichlorophenyl)methyl]hepta-1,6-dien-4-amine.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]hepta-1,6-dien-4-amine?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]hepta-1,6-dien-4-amine is C=CCC(CC=C)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]hepta-1,6-dien-4-amine?
The InChIKey is VEHCJUIYRJXNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N/c1-3-5-13(6-4-2)17-10-11-7-8-12(15)9-14(11)16/h3-4,7-9,13,17H,1-2,5-6,10H2.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]hepta-1,6-dien-4-amine?
N-[(2,4-dichlorophenyl)methyl]hepta-1,6-dien-4-amine has a molecular weight of 270.20 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]hepta-1,6-dien-4-amine is sourced from PubChem (CID 88713574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).