N,2,4,6-tetramethyl-N-(2-phenylethynyl)aniline

C18H19N — CID 177415515

IUPACN,2,4,6-tetramethyl-N-(2-phenylethynyl)aniline
SMILESCc1cc(C)c(N(C)C#Cc2ccccc2)c(C)c1
InChIInChI=1S/C18H19N/c1-14-12-15(2)18(16(3)13-14)19(4)11-10-17-8-6-5-7-9-17/h5-9,12-13H,1-4H3
InChIKeyACRAFAQCGTUHJV-UHFFFAOYSA-N
MW249.36 g/mol
LogP4.06
Rot. Bonds1

About N,2,4,6-tetramethyl-N-(2-phenylethynyl)aniline

N,2,4,6-tetramethyl-N-(2-phenylethynyl)aniline (PubChem CID 177415515) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is N,2,4,6-tetramethyl-N-(2-phenylethynyl)aniline.

Molecular Properties

Compound NameN,2,4,6-tetramethyl-N-(2-phenylethynyl)aniline
PubChem CID177415515
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC NameN,2,4,6-tetramethyl-N-(2-phenylethynyl)aniline
SMILESCc1cc(C)c(N(C)C#Cc2ccccc2)c(C)c1
InChIInChI=1S/C18H19N/c1-14-12-15(2)18(16(3)13-14)19(4)11-10-17-8-6-5-7-9-17/h5-9,12-13H,1-4H3
InChIKeyACRAFAQCGTUHJV-UHFFFAOYSA-N
XLogP4.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-diphenylprop-2-ynyl)-1,3,5-trimethylbenzene
CID 53349239
(2,4,6-trimethylphenyl) 3-phenylprop-2-ynoate
CID 12036892
ethane;1-methyl-4-(2-phenylethynyl)benzene
CID 91544809
(1R)-4-phenyl-2-(2-phenylethynyl)-1-(2,4,6-trimethylphenyl)but-3-yne-1,2-diol
CID 2716465
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
N,2,4,6-tetramethyl-N-(4-phenylphenyl)aniline
CID 145100467
methylsulfanylmethane;2-phenylethynylbenzene
CID 166709013
2-phenylethynylbenzene;dihydrochloride
CID 174927104
2-phenylethynylbenzene;hydrofluoride
CID 158259923
3-phenyl-N,N'-bis(2,4,6-trimethylphenyl)prop-2-ynimidamide
CID 20660785
CID 173002480
CID 173002480
2-methyl-4-(2-phenylethynyl)phenol
CID 59263622

Frequently Asked Questions

What is the IUPAC name of N,2,4,6-tetramethyl-N-(2-phenylethynyl)aniline?
The IUPAC name of N,2,4,6-tetramethyl-N-(2-phenylethynyl)aniline (CID 177415515) is N,2,4,6-tetramethyl-N-(2-phenylethynyl)aniline.
What is the SMILES notation for N,2,4,6-tetramethyl-N-(2-phenylethynyl)aniline?
The canonical SMILES for N,2,4,6-tetramethyl-N-(2-phenylethynyl)aniline is Cc1cc(C)c(N(C)C#Cc2ccccc2)c(C)c1.
What is the InChIKey of N,2,4,6-tetramethyl-N-(2-phenylethynyl)aniline?
The InChIKey is ACRAFAQCGTUHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N/c1-14-12-15(2)18(16(3)13-14)19(4)11-10-17-8-6-5-7-9-17/h5-9,12-13H,1-4H3.
What are the key properties of N,2,4,6-tetramethyl-N-(2-phenylethynyl)aniline?
N,2,4,6-tetramethyl-N-(2-phenylethynyl)aniline has a molecular weight of 249.36 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,4,6-tetramethyl-N-(2-phenylethynyl)aniline is sourced from PubChem (CID 177415515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).