N-[(E)-3-chloroprop-2-enyl]-2,5-dimethylaniline

C11H14ClN — CID 103791906

IUPACN-[(E)-3-chloroprop-2-enyl]-2,5-dimethylaniline
SMILESCc1ccc(C)c(NC/C=C/Cl)c1
InChIInChI=1S/C11H14ClN/c1-9-4-5-10(2)11(8-9)13-7-3-6-12/h3-6,8,13H,7H2,1-2H3/b6-3+
InChIKeyRVWPHDVVPHJMQW-ZZXKWVIFSA-N
MW195.69 g/mol
LogP3.47
Rot. Bonds3

About N-[(E)-3-chloroprop-2-enyl]-2,5-dimethylaniline

N-[(E)-3-chloroprop-2-enyl]-2,5-dimethylaniline (PubChem CID 103791906) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is N-[(E)-3-chloroprop-2-enyl]-2,5-dimethylaniline.

Molecular Properties

Compound NameN-[(E)-3-chloroprop-2-enyl]-2,5-dimethylaniline
PubChem CID103791906
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC NameN-[(E)-3-chloroprop-2-enyl]-2,5-dimethylaniline
SMILESCc1ccc(C)c(NC/C=C/Cl)c1
InChIInChI=1S/C11H14ClN/c1-9-4-5-10(2)11(8-9)13-7-3-6-12/h3-6,8,13H,7H2,1-2H3/b6-3+
InChIKeyRVWPHDVVPHJMQW-ZZXKWVIFSA-N
XLogP3.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N'-(2,5-dimethylphenyl)ethane-1,2-diamine
CID 12666397
5-chloro-N-[(E)-4-chlorobut-2-enyl]-2-methylaniline
CID 81429643
N-chloro-2,5-dimethylaniline
CID 141218472
N-(2,5-dimethylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28585840
N-[(E)-4-chlorobut-2-enyl]-2-methoxy-5-methylaniline
CID 81429521
2,5-dimethyl-N-[(1-methylcyclopropyl)methyl]aniline
CID 126991741
(2,5-dimethylanilino)methanesulfonic acid
CID 3019008
N-(2-ethoxyethyl)-2,5-dimethylaniline
CID 43387810
2,6-dichloro-4-[(2,5-dimethylanilino)methyl]phenol
CID 126125728
N-[(E)-3-chloroprop-2-enyl]-2-methyl-3-methylsulfanylaniline
CID 131237399
N-bromo-2,5-dimethylaniline
CID 154170384
N-[2-(2,5-dimethylanilino)ethyl]acetamide
CID 103604085

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-chloroprop-2-enyl]-2,5-dimethylaniline?
The IUPAC name of N-[(E)-3-chloroprop-2-enyl]-2,5-dimethylaniline (CID 103791906) is N-[(E)-3-chloroprop-2-enyl]-2,5-dimethylaniline.
What is the SMILES notation for N-[(E)-3-chloroprop-2-enyl]-2,5-dimethylaniline?
The canonical SMILES for N-[(E)-3-chloroprop-2-enyl]-2,5-dimethylaniline is Cc1ccc(C)c(NC/C=C/Cl)c1.
What is the InChIKey of N-[(E)-3-chloroprop-2-enyl]-2,5-dimethylaniline?
The InChIKey is RVWPHDVVPHJMQW-ZZXKWVIFSA-N. The full InChI is InChI=1S/C11H14ClN/c1-9-4-5-10(2)11(8-9)13-7-3-6-12/h3-6,8,13H,7H2,1-2H3/b6-3+.
What are the key properties of N-[(E)-3-chloroprop-2-enyl]-2,5-dimethylaniline?
N-[(E)-3-chloroprop-2-enyl]-2,5-dimethylaniline has a molecular weight of 195.69 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-chloroprop-2-enyl]-2,5-dimethylaniline is sourced from PubChem (CID 103791906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).