5-chloro-N,N,2,4-tetramethylaniline

C10H14ClN — CID 11959023

IUPAC5-chloro-N,N,2,4-tetramethylaniline
SMILESCc1cc(C)c(N(C)C)cc1Cl
InChIInChI=1S/C10H14ClN/c1-7-5-8(2)10(12(3)4)6-9(7)11/h5-6H,1-4H3
InChIKeyBTYLNVDTOILPDB-UHFFFAOYSA-N
MW183.68 g/mol
LogP3.02
Rot. Bonds1

About 5-chloro-N,N,2,4-tetramethylaniline

5-chloro-N,N,2,4-tetramethylaniline (PubChem CID 11959023) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is 5-chloro-N,N,2,4-tetramethylaniline.

Molecular Properties

Compound Name5-chloro-N,N,2,4-tetramethylaniline
PubChem CID11959023
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Name5-chloro-N,N,2,4-tetramethylaniline
SMILESCc1cc(C)c(N(C)C)cc1Cl
InChIInChI=1S/C10H14ClN/c1-7-5-8(2)10(12(3)4)6-9(7)11/h5-6H,1-4H3
InChIKeyBTYLNVDTOILPDB-UHFFFAOYSA-N
XLogP3.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,N,2,4-tetramethylaniline?
The IUPAC name of 5-chloro-N,N,2,4-tetramethylaniline (CID 11959023) is 5-chloro-N,N,2,4-tetramethylaniline.
What is the SMILES notation for 5-chloro-N,N,2,4-tetramethylaniline?
The canonical SMILES for 5-chloro-N,N,2,4-tetramethylaniline is Cc1cc(C)c(N(C)C)cc1Cl.
What is the InChIKey of 5-chloro-N,N,2,4-tetramethylaniline?
The InChIKey is BTYLNVDTOILPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN/c1-7-5-8(2)10(12(3)4)6-9(7)11/h5-6H,1-4H3.
What are the key properties of 5-chloro-N,N,2,4-tetramethylaniline?
5-chloro-N,N,2,4-tetramethylaniline has a molecular weight of 183.68 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,N,2,4-tetramethylaniline is sourced from PubChem (CID 11959023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).