aniline;4-chloro-2,3-dimethylaniline

C14H17ClN2 — CID 172775905

IUPACaniline;4-chloro-2,3-dimethylaniline
SMILESCc1c(N)ccc(Cl)c1C.Nc1ccccc1
InChIInChI=1S/C8H10ClN.C6H7N/c1-5-6(2)8(10)4-3-7(5)9;7-6-4-2-1-3-5-6/h3-4H,10H2,1-2H3;1-5H,7H2
InChIKeyNOWYRZUSKVSMEQ-UHFFFAOYSA-N
MW248.76 g/mol
LogP3.81
Rot. Bonds

About aniline;4-chloro-2,3-dimethylaniline

aniline;4-chloro-2,3-dimethylaniline (PubChem CID 172775905) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is aniline;4-chloro-2,3-dimethylaniline.

Molecular Properties

Compound Nameaniline;4-chloro-2,3-dimethylaniline
PubChem CID172775905
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC Nameaniline;4-chloro-2,3-dimethylaniline
SMILESCc1c(N)ccc(Cl)c1C.Nc1ccccc1
InChIInChI=1S/C8H10ClN.C6H7N/c1-5-6(2)8(10)4-3-7(5)9;7-6-4-2-1-3-5-6/h3-4H,10H2,1-2H3;1-5H,7H2
InChIKeyNOWYRZUSKVSMEQ-UHFFFAOYSA-N
XLogP3.81
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of aniline;4-chloro-2,3-dimethylaniline?
The IUPAC name of aniline;4-chloro-2,3-dimethylaniline (CID 172775905) is aniline;4-chloro-2,3-dimethylaniline.
What is the SMILES notation for aniline;4-chloro-2,3-dimethylaniline?
The canonical SMILES for aniline;4-chloro-2,3-dimethylaniline is Cc1c(N)ccc(Cl)c1C.Nc1ccccc1.
What is the InChIKey of aniline;4-chloro-2,3-dimethylaniline?
The InChIKey is NOWYRZUSKVSMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN.C6H7N/c1-5-6(2)8(10)4-3-7(5)9;7-6-4-2-1-3-5-6/h3-4H,10H2,1-2H3;1-5H,7H2.
What are the key properties of aniline;4-chloro-2,3-dimethylaniline?
aniline;4-chloro-2,3-dimethylaniline has a molecular weight of 248.76 g/mol, XLogP of 3.81, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;4-chloro-2,3-dimethylaniline is sourced from PubChem (CID 172775905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).