N-(3,5-dimethylphenyl)-N,2,3,5,6-pentamethylaniline

C19H25N — CID 163804278

IUPACN-(3,5-dimethylphenyl)-N,2,3,5,6-pentamethylaniline
SMILESCc1cc(C)cc(N(C)c2c(C)c(C)cc(C)c2C)c1
InChIInChI=1S/C19H25N/c1-12-8-13(2)10-18(9-12)20(7)19-16(5)14(3)11-15(4)17(19)6/h8-11H,1-7H3
InChIKeyITCFYSVJYAYHJN-UHFFFAOYSA-N
MW267.42 g/mol
LogP5.31
Rot. Bonds2

About N-(3,5-dimethylphenyl)-N,2,3,5,6-pentamethylaniline

N-(3,5-dimethylphenyl)-N,2,3,5,6-pentamethylaniline (PubChem CID 163804278) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-N,2,3,5,6-pentamethylaniline.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-N,2,3,5,6-pentamethylaniline
PubChem CID163804278
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC NameN-(3,5-dimethylphenyl)-N,2,3,5,6-pentamethylaniline
SMILESCc1cc(C)cc(N(C)c2c(C)c(C)cc(C)c2C)c1
InChIInChI=1S/C19H25N/c1-12-8-13(2)10-18(9-12)20(7)19-16(5)14(3)11-15(4)17(19)6/h8-11H,1-7H3
InChIKeyITCFYSVJYAYHJN-UHFFFAOYSA-N
XLogP5.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.42
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-N,2,3,5,6-pentamethylaniline?
The IUPAC name of N-(3,5-dimethylphenyl)-N,2,3,5,6-pentamethylaniline (CID 163804278) is N-(3,5-dimethylphenyl)-N,2,3,5,6-pentamethylaniline.
What is the SMILES notation for N-(3,5-dimethylphenyl)-N,2,3,5,6-pentamethylaniline?
The canonical SMILES for N-(3,5-dimethylphenyl)-N,2,3,5,6-pentamethylaniline is Cc1cc(C)cc(N(C)c2c(C)c(C)cc(C)c2C)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-N,2,3,5,6-pentamethylaniline?
The InChIKey is ITCFYSVJYAYHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-12-8-13(2)10-18(9-12)20(7)19-16(5)14(3)11-15(4)17(19)6/h8-11H,1-7H3.
What are the key properties of N-(3,5-dimethylphenyl)-N,2,3,5,6-pentamethylaniline?
N-(3,5-dimethylphenyl)-N,2,3,5,6-pentamethylaniline has a molecular weight of 267.42 g/mol, XLogP of 5.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-N,2,3,5,6-pentamethylaniline is sourced from PubChem (CID 163804278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).