(E)-N-[(2,4-dichlorophenyl)methyl]-N-methyl-3-phenylprop-2-en-1-amine

C17H17Cl2N — CID 14697965

IUPAC(E)-N-[(2,4-dichlorophenyl)methyl]-N-methyl-3-phenylprop-2-en-1-amine
SMILESCN(C/C=C/c1ccccc1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H17Cl2N/c1-20(11-5-8-14-6-3-2-4-7-14)13-15-9-10-16(18)12-17(15)19/h2-10,12H,11,13H2,1H3/b8-5+
InChIKeyARTTZVPTSVOJQZ-VMPITWQZSA-N
MW306.24 g/mol
LogP5.14
Rot. Bonds5

About (E)-N-[(2,4-dichlorophenyl)methyl]-N-methyl-3-phenylprop-2-en-1-amine

(E)-N-[(2,4-dichlorophenyl)methyl]-N-methyl-3-phenylprop-2-en-1-amine (PubChem CID 14697965) has the molecular formula C17H17Cl2N and a molecular weight of 306.24 g/mol. Its IUPAC name is (E)-N-[(2,4-dichlorophenyl)methyl]-N-methyl-3-phenylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-[(2,4-dichlorophenyl)methyl]-N-methyl-3-phenylprop-2-en-1-amine
PubChem CID14697965
Molecular FormulaC17H17Cl2N
Molecular Weight306.24 g/mol
Exact Mass305.07
IUPAC Name(E)-N-[(2,4-dichlorophenyl)methyl]-N-methyl-3-phenylprop-2-en-1-amine
SMILESCN(C/C=C/c1ccccc1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H17Cl2N/c1-20(11-5-8-14-6-3-2-4-7-14)13-15-9-10-16(18)12-17(15)19/h2-10,12H,11,13H2,1H3/b8-5+
InChIKeyARTTZVPTSVOJQZ-VMPITWQZSA-N
XLogP5.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.24
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-N-[(E)-3-phenylprop-2-enyl]-1,2,4-triazol-4-amine
CID 6475898
N-[(2,4-dichlorophenyl)methyl]-N-methyl-1-phenylmethanamine
CID 4542426
N-[(2,4-dichlorophenyl)methyl]-N-[(E)-3-phenylprop-2-enyl]-1,2,4-triazol-1-amine
CID 6475899
(Z)-N-benzyl-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride
CID 54603104
N-(chloromethyl)-1-(2,4-dichlorophenyl)-N-methylmethanamine
CID 115263252
hydron;(E)-N-methyl-N-(naphthalen-1-ylmethyl)-3-phenylprop-2-en-1-amine;chloride
CID 67108133
(1R)-2-[(2,4-dichlorophenyl)methyl-methylamino]-1-phenylethanol
CID 30980110
1-(2,4-dichlorophenyl)-N-(methoxymethyl)-N-methylmethanamine
CID 115258760
N-[(2,4-dichlorophenyl)methyl]-N-prop-2-enylprop-2-en-1-amine
CID 3936376
3-chloro-N-[(2,4-dichlorophenyl)methyl]-N-methylpropan-1-amine
CID 115215774
N-[(2,4-dichlorophenyl)methyl]-N-methylbutan-1-amine
CID 5150681
(E)-N-(1-benzofuran-7-ylmethyl)-3-(4-chlorophenyl)-N-methylprop-2-en-1-amine
CID 127048975

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2,4-dichlorophenyl)methyl]-N-methyl-3-phenylprop-2-en-1-amine?
The IUPAC name of (E)-N-[(2,4-dichlorophenyl)methyl]-N-methyl-3-phenylprop-2-en-1-amine (CID 14697965) is (E)-N-[(2,4-dichlorophenyl)methyl]-N-methyl-3-phenylprop-2-en-1-amine.
What is the SMILES notation for (E)-N-[(2,4-dichlorophenyl)methyl]-N-methyl-3-phenylprop-2-en-1-amine?
The canonical SMILES for (E)-N-[(2,4-dichlorophenyl)methyl]-N-methyl-3-phenylprop-2-en-1-amine is CN(C/C=C/c1ccccc1)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of (E)-N-[(2,4-dichlorophenyl)methyl]-N-methyl-3-phenylprop-2-en-1-amine?
The InChIKey is ARTTZVPTSVOJQZ-VMPITWQZSA-N. The full InChI is InChI=1S/C17H17Cl2N/c1-20(11-5-8-14-6-3-2-4-7-14)13-15-9-10-16(18)12-17(15)19/h2-10,12H,11,13H2,1H3/b8-5+.
What are the key properties of (E)-N-[(2,4-dichlorophenyl)methyl]-N-methyl-3-phenylprop-2-en-1-amine?
(E)-N-[(2,4-dichlorophenyl)methyl]-N-methyl-3-phenylprop-2-en-1-amine has a molecular weight of 306.24 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2,4-dichlorophenyl)methyl]-N-methyl-3-phenylprop-2-en-1-amine is sourced from PubChem (CID 14697965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).