2,5-dichloro-4-methyl-N-[(E)-3-phenylprop-2-enyl]aniline

C16H15Cl2N — CID 104726942

IUPAC2,5-dichloro-4-methyl-N-[(E)-3-phenylprop-2-enyl]aniline
SMILESCc1cc(Cl)c(NC/C=C/c2ccccc2)cc1Cl
InChIInChI=1S/C16H15Cl2N/c1-12-10-15(18)16(11-14(12)17)19-9-5-8-13-6-3-2-4-7-13/h2-8,10-11,19H,9H2,1H3/b8-5+
InChIKeyCMYKOXTZQNUZFI-VMPITWQZSA-N
MW292.21 g/mol
LogP5.43
Rot. Bonds4

About 2,5-dichloro-4-methyl-N-[(E)-3-phenylprop-2-enyl]aniline

2,5-dichloro-4-methyl-N-[(E)-3-phenylprop-2-enyl]aniline (PubChem CID 104726942) has the molecular formula C16H15Cl2N and a molecular weight of 292.21 g/mol. Its IUPAC name is 2,5-dichloro-4-methyl-N-[(E)-3-phenylprop-2-enyl]aniline.

Molecular Properties

Compound Name2,5-dichloro-4-methyl-N-[(E)-3-phenylprop-2-enyl]aniline
PubChem CID104726942
Molecular FormulaC16H15Cl2N
Molecular Weight292.21 g/mol
Exact Mass291.06
IUPAC Name2,5-dichloro-4-methyl-N-[(E)-3-phenylprop-2-enyl]aniline
SMILESCc1cc(Cl)c(NC/C=C/c2ccccc2)cc1Cl
InChIInChI=1S/C16H15Cl2N/c1-12-10-15(18)16(11-14(12)17)19-9-5-8-13-6-3-2-4-7-13/h2-8,10-11,19H,9H2,1H3/b8-5+
InChIKeyCMYKOXTZQNUZFI-VMPITWQZSA-N
XLogP5.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.21
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-4-methyl-N-(3-phenylprop-2-enyl)aniline
CID 73471536
2-chloro-4-iodo-N-[(E)-3-phenylprop-2-enyl]aniline
CID 107606608
2-chloro-5-methoxy-N-(3-phenylprop-2-enyl)aniline
CID 76997582
4-methyl-3-(3-phenylprop-2-enylamino)benzonitrile
CID 76940292
3,5-dichloro-N-(3-phenylprop-2-enyl)aniline
CID 78605740
2,5-dichloro-4-methyl-N-(3-phenylprop-2-ynyl)aniline
CID 104726759
2-N-[(E)-3-phenylprop-2-enyl]benzene-1,2-diamine
CID 6508892
2-iodo-N-(3-phenylprop-2-enyl)aniline
CID 78944181
2,5-dichloro-4-methyl-N-(2-phenoxyethyl)aniline
CID 104726919
N-[(E)-3-phenylprop-2-enyl]naphthalen-1-amine
CID 7949251
2,4-dimethoxy-N-[(E)-3-phenylprop-2-enyl]aniline
CID 11414530
2,5-dichloro-N-[(2-fluorophenyl)methyl]-4-methylaniline
CID 104726385

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-methyl-N-[(E)-3-phenylprop-2-enyl]aniline?
The IUPAC name of 2,5-dichloro-4-methyl-N-[(E)-3-phenylprop-2-enyl]aniline (CID 104726942) is 2,5-dichloro-4-methyl-N-[(E)-3-phenylprop-2-enyl]aniline.
What is the SMILES notation for 2,5-dichloro-4-methyl-N-[(E)-3-phenylprop-2-enyl]aniline?
The canonical SMILES for 2,5-dichloro-4-methyl-N-[(E)-3-phenylprop-2-enyl]aniline is Cc1cc(Cl)c(NC/C=C/c2ccccc2)cc1Cl.
What is the InChIKey of 2,5-dichloro-4-methyl-N-[(E)-3-phenylprop-2-enyl]aniline?
The InChIKey is CMYKOXTZQNUZFI-VMPITWQZSA-N. The full InChI is InChI=1S/C16H15Cl2N/c1-12-10-15(18)16(11-14(12)17)19-9-5-8-13-6-3-2-4-7-13/h2-8,10-11,19H,9H2,1H3/b8-5+.
What are the key properties of 2,5-dichloro-4-methyl-N-[(E)-3-phenylprop-2-enyl]aniline?
2,5-dichloro-4-methyl-N-[(E)-3-phenylprop-2-enyl]aniline has a molecular weight of 292.21 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-methyl-N-[(E)-3-phenylprop-2-enyl]aniline is sourced from PubChem (CID 104726942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).