N-[(2S)-2-ethyl-2,4-diphenylbut-3-ynyl]aniline

C24H23N — CID 163297447

IUPACN-[(2S)-2-ethyl-2,4-diphenylbut-3-ynyl]aniline
SMILESCC[C@](C#Cc1ccccc1)(CNc1ccccc1)c1ccccc1
InChIInChI=1S/C24H23N/c1-2-24(22-14-8-4-9-15-22,19-18-21-12-6-3-7-13-21)20-25-23-16-10-5-11-17-23/h3-17,25H,2,20H2,1H3/t24-/m0/s1
InChIKeyKPIAAIXMOJSWCH-DEOSSOPVSA-N
MW325.46 g/mol
LogP5.50
Rot. Bonds5

About N-[(2S)-2-ethyl-2,4-diphenylbut-3-ynyl]aniline

N-[(2S)-2-ethyl-2,4-diphenylbut-3-ynyl]aniline (PubChem CID 163297447) has the molecular formula C24H23N and a molecular weight of 325.46 g/mol. Its IUPAC name is N-[(2S)-2-ethyl-2,4-diphenylbut-3-ynyl]aniline.

Molecular Properties

Compound NameN-[(2S)-2-ethyl-2,4-diphenylbut-3-ynyl]aniline
PubChem CID163297447
Molecular FormulaC24H23N
Molecular Weight325.46 g/mol
Exact Mass325.18
IUPAC NameN-[(2S)-2-ethyl-2,4-diphenylbut-3-ynyl]aniline
SMILESCC[C@](C#Cc1ccccc1)(CNc1ccccc1)c1ccccc1
InChIInChI=1S/C24H23N/c1-2-24(22-14-8-4-9-15-22,19-18-21-12-6-3-7-13-21)20-25-23-16-10-5-11-17-23/h3-17,25H,2,20H2,1H3/t24-/m0/s1
InChIKeyKPIAAIXMOJSWCH-DEOSSOPVSA-N
XLogP5.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.46
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-ethyl-2,4-diphenylbut-3-yn-1-ol
CID 163297469
(3S)-1,3-diphenylpent-1-yn-3-ol
CID 95185650
2,4-diphenylbut-3-yn-2-ylbenzene
CID 13072781
3-methyl-1-phenylpent-1-yn-3-amine
CID 127003696
(3-ethyl-1-phenylpenta-1,4-diyn-3-yl)benzene
CID 91281470
bis(2,4-diphenylbut-3-yn-2-ol);platinum
CID 11061246
4-tert-butyl-N-(3-phenylprop-2-ynyl)aniline
CID 63487578
N-(2,2,2-trifluoroethyl)aniline
CID 9596
N-(2-hydroxy-2-phenylpropyl)-3-phenylprop-2-ynamide
CID 111825050
N,N,3-triethyl-1-phenylpent-1-yn-3-amine
CID 11322491
N-(2-bromo-2,2-difluoroethyl)aniline
CID 130551729
N-propylaniline
CID 12153

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-ethyl-2,4-diphenylbut-3-ynyl]aniline?
The IUPAC name of N-[(2S)-2-ethyl-2,4-diphenylbut-3-ynyl]aniline (CID 163297447) is N-[(2S)-2-ethyl-2,4-diphenylbut-3-ynyl]aniline.
What is the SMILES notation for N-[(2S)-2-ethyl-2,4-diphenylbut-3-ynyl]aniline?
The canonical SMILES for N-[(2S)-2-ethyl-2,4-diphenylbut-3-ynyl]aniline is CC[C@](C#Cc1ccccc1)(CNc1ccccc1)c1ccccc1.
What is the InChIKey of N-[(2S)-2-ethyl-2,4-diphenylbut-3-ynyl]aniline?
The InChIKey is KPIAAIXMOJSWCH-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H23N/c1-2-24(22-14-8-4-9-15-22,19-18-21-12-6-3-7-13-21)20-25-23-16-10-5-11-17-23/h3-17,25H,2,20H2,1H3/t24-/m0/s1.
What are the key properties of N-[(2S)-2-ethyl-2,4-diphenylbut-3-ynyl]aniline?
N-[(2S)-2-ethyl-2,4-diphenylbut-3-ynyl]aniline has a molecular weight of 325.46 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-ethyl-2,4-diphenylbut-3-ynyl]aniline is sourced from PubChem (CID 163297447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).