N-chloro-2,5-dimethylaniline

C8H10ClN — CID 141218472

IUPACN-chloro-2,5-dimethylaniline
SMILESCc1ccc(C)c(NCl)c1
InChIInChI=1S/C8H10ClN/c1-6-3-4-7(2)8(5-6)10-9/h3-5,10H,1-2H3
InChIKeyXVILOEVSNVUQIO-UHFFFAOYSA-N
MW155.63 g/mol
LogP2.87
Rot. Bonds1

About N-chloro-2,5-dimethylaniline

N-chloro-2,5-dimethylaniline (PubChem CID 141218472) has the molecular formula C8H10ClN and a molecular weight of 155.63 g/mol. Its IUPAC name is N-chloro-2,5-dimethylaniline.

Molecular Properties

Compound NameN-chloro-2,5-dimethylaniline
PubChem CID141218472
Molecular FormulaC8H10ClN
Molecular Weight155.63 g/mol
Exact Mass155.05
IUPAC NameN-chloro-2,5-dimethylaniline
SMILESCc1ccc(C)c(NCl)c1
InChIInChI=1S/C8H10ClN/c1-6-3-4-7(2)8(5-6)10-9/h3-5,10H,1-2H3
InChIKeyXVILOEVSNVUQIO-UHFFFAOYSA-N
XLogP2.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.63
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N-bromo-2,5-dimethylaniline
CID 154170384
N-(2,5-dimethylphenyl)ethanesulfonamide
CID 902936
N-(2,5-dimethylphenyl)methanethioamide
CID 123161887
2-(dimethylsulfamoylamino)-1,4-dimethylbenzene
CID 3889138
N-(2,5-dimethylphenyl)propane-2-sulfonamide
CID 62997790
N-chloro-5-methyl-2-nitroaniline
CID 13272651
N'-(2,5-dimethylphenyl)ethane-1,2-diamine
CID 12666397
N-(2,5-dimethylphenyl)formamide;methane
CID 143644510
N-[(E)-3-chloroprop-2-enyl]-2,5-dimethylaniline
CID 103791906
1-N-(2,5-dimethylphenyl)-3,5-dimethylbenzene-1,2-diamine
CID 57130016
4-chloro-1-N-(2,5-dimethylphenyl)-6-methylbenzene-1,3-diamine
CID 163370554
2-chloro-N-(2,5-dimethylphenyl)propanamide
CID 25218955

Frequently Asked Questions

What is the IUPAC name of N-chloro-2,5-dimethylaniline?
The IUPAC name of N-chloro-2,5-dimethylaniline (CID 141218472) is N-chloro-2,5-dimethylaniline.
What is the SMILES notation for N-chloro-2,5-dimethylaniline?
The canonical SMILES for N-chloro-2,5-dimethylaniline is Cc1ccc(C)c(NCl)c1.
What is the InChIKey of N-chloro-2,5-dimethylaniline?
The InChIKey is XVILOEVSNVUQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN/c1-6-3-4-7(2)8(5-6)10-9/h3-5,10H,1-2H3.
What are the key properties of N-chloro-2,5-dimethylaniline?
N-chloro-2,5-dimethylaniline has a molecular weight of 155.63 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-2,5-dimethylaniline is sourced from PubChem (CID 141218472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).