4-methyl-N-phenyl-N-(4-prop-2-ynylphenyl)aniline

C22H19N — CID 141313098

IUPAC4-methyl-N-phenyl-N-(4-prop-2-ynylphenyl)aniline
SMILESC#CCc1ccc(N(c2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H19N/c1-3-7-19-12-16-22(17-13-19)23(20-8-5-4-6-9-20)21-14-10-18(2)11-15-21/h1,4-6,8-17H,7H2,2H3
InChIKeyYCNDXSGHTYJDSL-UHFFFAOYSA-N
MW297.40 g/mol
LogP5.64
Rot. Bonds4

About 4-methyl-N-phenyl-N-(4-prop-2-ynylphenyl)aniline

4-methyl-N-phenyl-N-(4-prop-2-ynylphenyl)aniline (PubChem CID 141313098) has the molecular formula C22H19N and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-methyl-N-phenyl-N-(4-prop-2-ynylphenyl)aniline.

Molecular Properties

Compound Name4-methyl-N-phenyl-N-(4-prop-2-ynylphenyl)aniline
PubChem CID141313098
Molecular FormulaC22H19N
Molecular Weight297.40 g/mol
Exact Mass297.15
IUPAC Name4-methyl-N-phenyl-N-(4-prop-2-ynylphenyl)aniline
SMILESC#CCc1ccc(N(c2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H19N/c1-3-7-19-12-16-22(17-13-19)23(20-8-5-4-6-9-20)21-14-10-18(2)11-15-21/h1,4-6,8-17H,7H2,2H3
InChIKeyYCNDXSGHTYJDSL-UHFFFAOYSA-N
XLogP5.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.40
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethylphenyl)-4-methyl-N-phenylaniline
CID 58800452
ethane;tris(4-methyl-N,N-diphenylaniline)
CID 159159918
4-N,4-N-bis(4-methylphenyl)-1-N-phenyl-1-N-[4-[4-(N-phenylanilino)phenyl]phenyl]benzene-1,4-diamine
CID 171844865
4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 165386569
1-N-[4-[4-(N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(4-methylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 21351107
4-methyl-N-[4-[4-(N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 22598588
1-N-(4-methylphenyl)-4-N-[4-[4-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;tetranonaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93-heptatetracontayne
CID 161319655
N-[4-[3,5-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
CID 159992995
[4-(N-(4-ethylphenyl)-4-methylanilino)phenyl]methanol;[4-(N-[4-(hydroxymethyl)phenyl]anilino)phenyl]methanol
CID 159917038
1-N-methyl-4-N-[4-(N-(4-methylphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 58038448
3-N-(4-methylphenyl)-3-N-[4-(4-methyl-N-[3-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 59866528
1-N-methyl-1-N,4-N-bis(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine
CID 59431689

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-phenyl-N-(4-prop-2-ynylphenyl)aniline?
The IUPAC name of 4-methyl-N-phenyl-N-(4-prop-2-ynylphenyl)aniline (CID 141313098) is 4-methyl-N-phenyl-N-(4-prop-2-ynylphenyl)aniline.
What is the SMILES notation for 4-methyl-N-phenyl-N-(4-prop-2-ynylphenyl)aniline?
The canonical SMILES for 4-methyl-N-phenyl-N-(4-prop-2-ynylphenyl)aniline is C#CCc1ccc(N(c2ccccc2)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-N-phenyl-N-(4-prop-2-ynylphenyl)aniline?
The InChIKey is YCNDXSGHTYJDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N/c1-3-7-19-12-16-22(17-13-19)23(20-8-5-4-6-9-20)21-14-10-18(2)11-15-21/h1,4-6,8-17H,7H2,2H3.
What are the key properties of 4-methyl-N-phenyl-N-(4-prop-2-ynylphenyl)aniline?
4-methyl-N-phenyl-N-(4-prop-2-ynylphenyl)aniline has a molecular weight of 297.40 g/mol, XLogP of 5.64, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-phenyl-N-(4-prop-2-ynylphenyl)aniline is sourced from PubChem (CID 141313098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).