ethane;3-methyl-N-tritylaniline

C28H29N — CID 143156765

IUPACethane;3-methyl-N-tritylaniline
SMILESCC.Cc1cccc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C26H23N.C2H6/c1-21-12-11-19-25(20-21)27-26(22-13-5-2-6-14-22,23-15-7-3-8-16-23)24-17-9-4-10-18-24;1-2/h2-20,27H,1H3;1-2H3
InChIKeyBZUUGCRBIRBBEE-UHFFFAOYSA-N
MW379.55 g/mol
LogP7.43
Rot. Bonds5

About ethane;3-methyl-N-tritylaniline

ethane;3-methyl-N-tritylaniline (PubChem CID 143156765) has the molecular formula C28H29N and a molecular weight of 379.55 g/mol. Its IUPAC name is ethane;3-methyl-N-tritylaniline.

Molecular Properties

Compound Nameethane;3-methyl-N-tritylaniline
PubChem CID143156765
Molecular FormulaC28H29N
Molecular Weight379.55 g/mol
Exact Mass379.23
IUPAC Nameethane;3-methyl-N-tritylaniline
SMILESCC.Cc1cccc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C26H23N.C2H6/c1-21-12-11-19-25(20-21)27-26(22-13-5-2-6-14-22,23-15-7-3-8-16-23)24-17-9-4-10-18-24;1-2/h2-20,27H,1H3;1-2H3
InChIKeyBZUUGCRBIRBBEE-UHFFFAOYSA-N
XLogP7.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.55
LogP ≤ 57.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethyl-N-tritylaniline
CID 7122328
1-(3-methylanilino)ethane-1,1-diol
CID 54318921
1,1'-biphenyl;3-methyl-N-phenylaniline
CID 19838437
2-methyl-2-(3-methylanilino)propanenitrile
CID 60719838
N-[4-(4-anilinophenyl)phenyl]-3-methylaniline
CID 90221896
2-(3,4-dimethylphenyl)-2-(3-methylanilino)propanoic acid
CID 60993781
3-[3-(tritylamino)phenyl]pentanoic acid
CID 21477141
(3-methylanilino)azanium
CID 4555748
1,1-bis(3-methylphenyl)-2,2-diphenylethane-1,2-diol
CID 18615291
2-(3-methylanilino)-2-(4-methylphenyl)butanoic acid
CID 60993922
2-(2-bromophenyl)-2-(3-methylanilino)propanoic acid
CID 60994633
2-methyl-2-(3-methylanilino)-4-phenylbutan-1-ol
CID 61047781

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-N-tritylaniline?
The IUPAC name of ethane;3-methyl-N-tritylaniline (CID 143156765) is ethane;3-methyl-N-tritylaniline.
What is the SMILES notation for ethane;3-methyl-N-tritylaniline?
The canonical SMILES for ethane;3-methyl-N-tritylaniline is CC.Cc1cccc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of ethane;3-methyl-N-tritylaniline?
The InChIKey is BZUUGCRBIRBBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N.C2H6/c1-21-12-11-19-25(20-21)27-26(22-13-5-2-6-14-22,23-15-7-3-8-16-23)24-17-9-4-10-18-24;1-2/h2-20,27H,1H3;1-2H3.
What are the key properties of ethane;3-methyl-N-tritylaniline?
ethane;3-methyl-N-tritylaniline has a molecular weight of 379.55 g/mol, XLogP of 7.43, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-N-tritylaniline is sourced from PubChem (CID 143156765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).