N,2,3,4,6-pentamethyl-N-(3-methylphenyl)aniline

C18H23N — CID 163852785

IUPACN,2,3,4,6-pentamethyl-N-(3-methylphenyl)aniline
SMILESCc1cccc(N(C)c2c(C)cc(C)c(C)c2C)c1
InChIInChI=1S/C18H23N/c1-12-8-7-9-17(10-12)19(6)18-14(3)11-13(2)15(4)16(18)5/h7-11H,1-6H3
InChIKeyWOWQLBKOJOZNNO-UHFFFAOYSA-N
MW253.39 g/mol
LogP5.00
Rot. Bonds2

About N,2,3,4,6-pentamethyl-N-(3-methylphenyl)aniline

N,2,3,4,6-pentamethyl-N-(3-methylphenyl)aniline (PubChem CID 163852785) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is N,2,3,4,6-pentamethyl-N-(3-methylphenyl)aniline.

Molecular Properties

Compound NameN,2,3,4,6-pentamethyl-N-(3-methylphenyl)aniline
PubChem CID163852785
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC NameN,2,3,4,6-pentamethyl-N-(3-methylphenyl)aniline
SMILESCc1cccc(N(C)c2c(C)cc(C)c(C)c2C)c1
InChIInChI=1S/C18H23N/c1-12-8-7-9-17(10-12)19(6)18-14(3)11-13(2)15(4)16(18)5/h7-11H,1-6H3
InChIKeyWOWQLBKOJOZNNO-UHFFFAOYSA-N
XLogP5.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,5-dimethylphenyl)-N,2,3,5,6-pentamethylaniline
CID 163804278
CID 138691650
CID 138691650
N-(3-methoxyphenyl)-N,3-dimethylaniline
CID 57317971
2,3,5,6-tetramethyl-1-N,1-N-diphenyl-4-N-[2,3,5,6-tetramethyl-4-(N-(3-methylphenyl)anilino)phenyl]-4-N-[2,3,5,6-tetramethyl-4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 20720491
N-methyl-N-(3-methylphenyl)pyridin-4-amine
CID 89072633
CID 145278615
CID 145278615
CID 70331685
CID 70331685
4-(bromomethyl)-2,6-difluoro-N-methyl-N-(3-methylphenyl)aniline
CID 107082587
N-(4-methoxyphenyl)-N,3-dimethylaniline
CID 58090553
5-chloro-6-fluoro-1-N-methyl-1-N-(3-methylphenyl)benzene-1,2,4-triamine
CID 103552989
N-methyl-N-(2,3,5,6-tetramethylphenyl)naphthalen-2-amine
CID 163608925
N-[4-(aminomethyl)phenyl]-N,3-dimethylaniline
CID 62001605

Frequently Asked Questions

What is the IUPAC name of N,2,3,4,6-pentamethyl-N-(3-methylphenyl)aniline?
The IUPAC name of N,2,3,4,6-pentamethyl-N-(3-methylphenyl)aniline (CID 163852785) is N,2,3,4,6-pentamethyl-N-(3-methylphenyl)aniline.
What is the SMILES notation for N,2,3,4,6-pentamethyl-N-(3-methylphenyl)aniline?
The canonical SMILES for N,2,3,4,6-pentamethyl-N-(3-methylphenyl)aniline is Cc1cccc(N(C)c2c(C)cc(C)c(C)c2C)c1.
What is the InChIKey of N,2,3,4,6-pentamethyl-N-(3-methylphenyl)aniline?
The InChIKey is WOWQLBKOJOZNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-12-8-7-9-17(10-12)19(6)18-14(3)11-13(2)15(4)16(18)5/h7-11H,1-6H3.
What are the key properties of N,2,3,4,6-pentamethyl-N-(3-methylphenyl)aniline?
N,2,3,4,6-pentamethyl-N-(3-methylphenyl)aniline has a molecular weight of 253.39 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3,4,6-pentamethyl-N-(3-methylphenyl)aniline is sourced from PubChem (CID 163852785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).