2-(2,5-dichloro-4-methylanilino)propanenitrile

C10H10Cl2N2 — CID 104726846

IUPAC2-(2,5-dichloro-4-methylanilino)propanenitrile
SMILESCc1cc(Cl)c(NC(C)C#N)cc1Cl
InChIInChI=1S/C10H10Cl2N2/c1-6-3-9(12)10(4-8(6)11)14-7(2)5-13/h3-4,7,14H,1-2H3
InChIKeySEWLZSPKFOMBKJ-UHFFFAOYSA-N
MW229.11 g/mol
LogP3.63
Rot. Bonds2

About 2-(2,5-dichloro-4-methylanilino)propanenitrile

2-(2,5-dichloro-4-methylanilino)propanenitrile (PubChem CID 104726846) has the molecular formula C10H10Cl2N2 and a molecular weight of 229.11 g/mol. Its IUPAC name is 2-(2,5-dichloro-4-methylanilino)propanenitrile.

Molecular Properties

Compound Name2-(2,5-dichloro-4-methylanilino)propanenitrile
PubChem CID104726846
Molecular FormulaC10H10Cl2N2
Molecular Weight229.11 g/mol
Exact Mass228.02
IUPAC Name2-(2,5-dichloro-4-methylanilino)propanenitrile
SMILESCc1cc(Cl)c(NC(C)C#N)cc1Cl
InChIInChI=1S/C10H10Cl2N2/c1-6-3-9(12)10(4-8(6)11)14-7(2)5-13/h3-4,7,14H,1-2H3
InChIKeySEWLZSPKFOMBKJ-UHFFFAOYSA-N
XLogP3.63
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.11
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-2-methoxy-5-methylanilino)propanenitrile
CID 60639264
2,5-dichloro-4-methyl-N-(3-methylpentan-2-yl)aniline
CID 104726239
2,5-dichloro-N-(1-methoxypropan-2-yl)-4-methylaniline
CID 104726031
2-(2-methoxy-4,5-dimethylanilino)propanenitrile
CID 115129852
2-[(2-chloro-5-fluoro-4-methylanilino)methyl]-3-methylbutanenitrile
CID 115254319
2,5-dichloro-4-methyl-N-(1-pyridin-4-ylethyl)aniline
CID 104726127
3-(2,5-dichloro-4-methylanilino)butanoic acid
CID 104726951
2,5-dichloro-4-methyl-N-nonan-2-ylaniline
CID 104726304
3-chloro-N-(1-cyanoethyl)-4-methylbenzamide
CID 63195497
2-(2-bromo-5-chloro-4-methylanilino)butanenitrile
CID 104723532
N-tert-butyl-2-(2,5-dichloro-4-methylanilino)propanamide
CID 104726706
2,5-dichloro-4-methyl-N-[1-(4-propylphenyl)ethyl]aniline
CID 104726147

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloro-4-methylanilino)propanenitrile?
The IUPAC name of 2-(2,5-dichloro-4-methylanilino)propanenitrile (CID 104726846) is 2-(2,5-dichloro-4-methylanilino)propanenitrile.
What is the SMILES notation for 2-(2,5-dichloro-4-methylanilino)propanenitrile?
The canonical SMILES for 2-(2,5-dichloro-4-methylanilino)propanenitrile is Cc1cc(Cl)c(NC(C)C#N)cc1Cl.
What is the InChIKey of 2-(2,5-dichloro-4-methylanilino)propanenitrile?
The InChIKey is SEWLZSPKFOMBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2/c1-6-3-9(12)10(4-8(6)11)14-7(2)5-13/h3-4,7,14H,1-2H3.
What are the key properties of 2-(2,5-dichloro-4-methylanilino)propanenitrile?
2-(2,5-dichloro-4-methylanilino)propanenitrile has a molecular weight of 229.11 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloro-4-methylanilino)propanenitrile is sourced from PubChem (CID 104726846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).