N-[(2,4-dichlorophenyl)methyl]-N-prop-2-enylprop-2-en-1-amine

C13H15Cl2N — CID 3936376

IUPACN-[(2,4-dichlorophenyl)methyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2N/c1-3-7-16(8-4-2)10-11-5-6-12(14)9-13(11)15/h3-6,9H,1-2,7-8,10H2
InChIKeyTZKPCMNRBZFZEU-UHFFFAOYSA-N
MW256.18 g/mol
LogP4.17
Rot. Bonds6

About N-[(2,4-dichlorophenyl)methyl]-N-prop-2-enylprop-2-en-1-amine

N-[(2,4-dichlorophenyl)methyl]-N-prop-2-enylprop-2-en-1-amine (PubChem CID 3936376) has the molecular formula C13H15Cl2N and a molecular weight of 256.18 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-N-prop-2-enylprop-2-en-1-amine
PubChem CID3936376
Molecular FormulaC13H15Cl2N
Molecular Weight256.18 g/mol
Exact Mass255.06
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2N/c1-3-7-16(8-4-2)10-11-5-6-12(14)9-13(11)15/h3-6,9H,1-2,7-8,10H2
InChIKeyTZKPCMNRBZFZEU-UHFFFAOYSA-N
XLogP4.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.18
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 4693870
2-[(2,5-dichlorophenyl)methyl-prop-2-enylamino]ethanol
CID 115647773
2-[(2,4-dichlorophenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 35268423
N-[(2,4-dichlorophenyl)methyl]-N-propylpropan-1-amine
CID 117059460
2-[carboxymethyl-[(2,4-dichlorophenyl)methyl]amino]acetic acid
CID 55246702
N-(chloromethyl)-1-(2,4-dichlorophenyl)-N-methylmethanamine
CID 115263252
N-[(6-chloro-1,1-dioxo-1-benzothiophen-2-yl)methyl]-N-prop-2-enylprop-2-en-1-amine
CID 19429658
[2-[bis(prop-2-enyl)amino]-4-chlorophenyl]methanol
CID 114845097
1-[(2,4-dichlorophenyl)methyl]-1-methylhydrazine
CID 82282939
2-[(2-chloro-4-methoxyphenyl)methyl-prop-2-enylamino]ethanol
CID 111824360
1-(2,4-dichlorophenyl)-N-(methoxymethyl)-N-methylmethanamine
CID 115258760
(2,4-dichlorophenyl)methyl-tris(prop-2-enyl)azanium chloride
CID 88673290

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N-prop-2-enylprop-2-en-1-amine (CID 3936376) is N-[(2,4-dichlorophenyl)methyl]-N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-N-prop-2-enylprop-2-en-1-amine is C=CCN(CC=C)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-N-prop-2-enylprop-2-en-1-amine?
The InChIKey is TZKPCMNRBZFZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N/c1-3-7-16(8-4-2)10-11-5-6-12(14)9-13(11)15/h3-6,9H,1-2,7-8,10H2.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-N-prop-2-enylprop-2-en-1-amine?
N-[(2,4-dichlorophenyl)methyl]-N-prop-2-enylprop-2-en-1-amine has a molecular weight of 256.18 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 3936376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).