N-(3-chloro-2-methylphenyl)-2,4,6-trimethylaniline

C16H18ClN — CID 127044543

IUPACN-(3-chloro-2-methylphenyl)-2,4,6-trimethylaniline
SMILESCc1cc(C)c(Nc2cccc(Cl)c2C)c(C)c1
InChIInChI=1S/C16H18ClN/c1-10-8-11(2)16(12(3)9-10)18-15-7-5-6-14(17)13(15)4/h5-9,18H,1-4H3
InChIKeyCOHXBRSZZSXMEP-UHFFFAOYSA-N
MW259.78 g/mol
LogP5.32
Rot. Bonds2

About N-(3-chloro-2-methylphenyl)-2,4,6-trimethylaniline

N-(3-chloro-2-methylphenyl)-2,4,6-trimethylaniline (PubChem CID 127044543) has the molecular formula C16H18ClN and a molecular weight of 259.78 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2,4,6-trimethylaniline.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2,4,6-trimethylaniline
PubChem CID127044543
Molecular FormulaC16H18ClN
Molecular Weight259.78 g/mol
Exact Mass259.11
IUPAC NameN-(3-chloro-2-methylphenyl)-2,4,6-trimethylaniline
SMILESCc1cc(C)c(Nc2cccc(Cl)c2C)c(C)c1
InChIInChI=1S/C16H18ClN/c1-10-8-11(2)16(12(3)9-10)18-15-7-5-6-14(17)13(15)4/h5-9,18H,1-4H3
InChIKeyCOHXBRSZZSXMEP-UHFFFAOYSA-N
XLogP5.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.78
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2,4,6-trimethylaniline?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2,4,6-trimethylaniline (CID 127044543) is N-(3-chloro-2-methylphenyl)-2,4,6-trimethylaniline.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2,4,6-trimethylaniline?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2,4,6-trimethylaniline is Cc1cc(C)c(Nc2cccc(Cl)c2C)c(C)c1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2,4,6-trimethylaniline?
The InChIKey is COHXBRSZZSXMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN/c1-10-8-11(2)16(12(3)9-10)18-15-7-5-6-14(17)13(15)4/h5-9,18H,1-4H3.
What are the key properties of N-(3-chloro-2-methylphenyl)-2,4,6-trimethylaniline?
N-(3-chloro-2-methylphenyl)-2,4,6-trimethylaniline has a molecular weight of 259.78 g/mol, XLogP of 5.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2,4,6-trimethylaniline is sourced from PubChem (CID 127044543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).