2,5-dichloro-N-methyl-N-prop-2-enylaniline

C10H11Cl2N — CID 130605525

IUPAC2,5-dichloro-N-methyl-N-prop-2-enylaniline
SMILESC=CCN(C)c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H11Cl2N/c1-3-6-13(2)10-7-8(11)4-5-9(10)12/h3-5,7H,1,6H2,2H3
InChIKeyOKHDJTJCHPAQBU-UHFFFAOYSA-N
MW216.11 g/mol
LogP3.62
Rot. Bonds3

About 2,5-dichloro-N-methyl-N-prop-2-enylaniline

2,5-dichloro-N-methyl-N-prop-2-enylaniline (PubChem CID 130605525) has the molecular formula C10H11Cl2N and a molecular weight of 216.11 g/mol. Its IUPAC name is 2,5-dichloro-N-methyl-N-prop-2-enylaniline.

Molecular Properties

Compound Name2,5-dichloro-N-methyl-N-prop-2-enylaniline
PubChem CID130605525
Molecular FormulaC10H11Cl2N
Molecular Weight216.11 g/mol
Exact Mass215.03
IUPAC Name2,5-dichloro-N-methyl-N-prop-2-enylaniline
SMILESC=CCN(C)c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H11Cl2N/c1-3-6-13(2)10-7-8(11)4-5-9(10)12/h3-5,7H,1,6H2,2H3
InChIKeyOKHDJTJCHPAQBU-UHFFFAOYSA-N
XLogP3.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.11
LogP ≤ 53.62
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

2,5-dichloro-N-(2,5-dichlorophenyl)-N-prop-2-enylbenzenesulfonamide
CID 100507490
N-(2,5-dichlorophenyl)-4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide
CID 100517325
[2-[bis(prop-2-enyl)amino]-4-chlorophenyl]methanol
CID 114845097
N-[(2,4-dichlorophenyl)methyl]-N-prop-2-enylprop-2-en-1-amine
CID 3936376
2-[(2,5-dichlorophenyl)methyl-prop-2-enylamino]ethanol
CID 115647773
2-[(2,5-dichlorophenyl)-methylcarbamoyl]sulfanylacetic acid
CID 87892233
5-chloro-N-ethyl-2-fluoro-N-methylaniline
CID 115259333
(4-chloro-2-methylphenyl)-prop-2-enylcarbamic acid
CID 69481778
2-(2,5-dichloro-N-methylsulfonylanilino)-N-prop-2-enylacetamide
CID 113156897
(2Z)-2-[(2,5-dichlorophenyl)-ethylhydrazinylidene]acetic acid
CID 176888578
2,5-dichloro-N-(2-methoxyphenyl)-N-prop-2-enylbenzenesulfonamide
CID 100507319
4-chloro-2-ethenyl-N,N-dimethylaniline
CID 143235220

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-methyl-N-prop-2-enylaniline?
The IUPAC name of 2,5-dichloro-N-methyl-N-prop-2-enylaniline (CID 130605525) is 2,5-dichloro-N-methyl-N-prop-2-enylaniline.
What is the SMILES notation for 2,5-dichloro-N-methyl-N-prop-2-enylaniline?
The canonical SMILES for 2,5-dichloro-N-methyl-N-prop-2-enylaniline is C=CCN(C)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-methyl-N-prop-2-enylaniline?
The InChIKey is OKHDJTJCHPAQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N/c1-3-6-13(2)10-7-8(11)4-5-9(10)12/h3-5,7H,1,6H2,2H3.
What are the key properties of 2,5-dichloro-N-methyl-N-prop-2-enylaniline?
2,5-dichloro-N-methyl-N-prop-2-enylaniline has a molecular weight of 216.11 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-methyl-N-prop-2-enylaniline is sourced from PubChem (CID 130605525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).