ethane;methanol;N-phenyl-4-(2-phenylethyl)aniline

C23H29NO — CID 91580530

IUPACethane;methanol;N-phenyl-4-(2-phenylethyl)aniline
SMILESCC.CO.c1ccc(CCc2ccc(Nc3ccccc3)cc2)cc1
InChIInChI=1S/C20H19N.C2H6.CH4O/c1-3-7-17(8-4-1)11-12-18-13-15-20(16-14-18)21-19-9-5-2-6-10-19;2*1-2/h1-10,13-16,21H,11-12H2;1-2H3;2H,1H3
InChIKeyYTOLORWOYYAANB-UHFFFAOYSA-N
MW335.49 g/mol
LogP5.85
Rot. Bonds5

About ethane;methanol;N-phenyl-4-(2-phenylethyl)aniline

ethane;methanol;N-phenyl-4-(2-phenylethyl)aniline (PubChem CID 91580530) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is ethane;methanol;N-phenyl-4-(2-phenylethyl)aniline.

Molecular Properties

Compound Nameethane;methanol;N-phenyl-4-(2-phenylethyl)aniline
PubChem CID91580530
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Nameethane;methanol;N-phenyl-4-(2-phenylethyl)aniline
SMILESCC.CO.c1ccc(CCc2ccc(Nc3ccccc3)cc2)cc1
InChIInChI=1S/C20H19N.C2H6.CH4O/c1-3-7-17(8-4-1)11-12-18-13-15-20(16-14-18)21-19-9-5-2-6-10-19;2*1-2/h1-10,13-16,21H,11-12H2;1-2H3;2H,1H3
InChIKeyYTOLORWOYYAANB-UHFFFAOYSA-N
XLogP5.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.49
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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4-(4-butylphenyl)-N-phenylaniline
CID 141426915
7-(4-anilinophenyl)heptan-2-ol
CID 101298242
15-(4-anilinophenyl)pentadecan-2-ol
CID 101298326
10-(4-anilinophenyl)decan-2-ol
CID 101298266
benzene;2-phenylethylbenzene
CID 18982764
ethane;N-(2-phenylethyl)aniline
CID 91194556
N-[(4-anilinophenyl)methyl]acetamide
CID 11853463
17-(4-anilinophenyl)heptadecan-5-ol
CID 101298360
1-(4-anilinophenyl)pentadecan-8-ol
CID 101298332

Frequently Asked Questions

What is the IUPAC name of ethane;methanol;N-phenyl-4-(2-phenylethyl)aniline?
The IUPAC name of ethane;methanol;N-phenyl-4-(2-phenylethyl)aniline (CID 91580530) is ethane;methanol;N-phenyl-4-(2-phenylethyl)aniline.
What is the SMILES notation for ethane;methanol;N-phenyl-4-(2-phenylethyl)aniline?
The canonical SMILES for ethane;methanol;N-phenyl-4-(2-phenylethyl)aniline is CC.CO.c1ccc(CCc2ccc(Nc3ccccc3)cc2)cc1.
What is the InChIKey of ethane;methanol;N-phenyl-4-(2-phenylethyl)aniline?
The InChIKey is YTOLORWOYYAANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N.C2H6.CH4O/c1-3-7-17(8-4-1)11-12-18-13-15-20(16-14-18)21-19-9-5-2-6-10-19;2*1-2/h1-10,13-16,21H,11-12H2;1-2H3;2H,1H3.
What are the key properties of ethane;methanol;N-phenyl-4-(2-phenylethyl)aniline?
ethane;methanol;N-phenyl-4-(2-phenylethyl)aniline has a molecular weight of 335.49 g/mol, XLogP of 5.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanol;N-phenyl-4-(2-phenylethyl)aniline is sourced from PubChem (CID 91580530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).