4-(4-aminophenyl)-3-(3-ethylphenyl)aniline

C20H20N2 — CID 151958387

IUPAC4-(4-aminophenyl)-3-(3-ethylphenyl)aniline
SMILESCCc1cccc(-c2cc(N)ccc2-c2ccc(N)cc2)c1
InChIInChI=1S/C20H20N2/c1-2-14-4-3-5-16(12-14)20-13-18(22)10-11-19(20)15-6-8-17(21)9-7-15/h3-13H,2,21-22H2,1H3
InChIKeyTYCVRQLQTREKCA-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.75
Rot. Bonds3

About 4-(4-aminophenyl)-3-(3-ethylphenyl)aniline

4-(4-aminophenyl)-3-(3-ethylphenyl)aniline (PubChem CID 151958387) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-(4-aminophenyl)-3-(3-ethylphenyl)aniline.

Molecular Properties

Compound Name4-(4-aminophenyl)-3-(3-ethylphenyl)aniline
PubChem CID151958387
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Name4-(4-aminophenyl)-3-(3-ethylphenyl)aniline
SMILESCCc1cccc(-c2cc(N)ccc2-c2ccc(N)cc2)c1
InChIInChI=1S/C20H20N2/c1-2-14-4-3-5-16(12-14)20-13-18(22)10-11-19(20)15-6-8-17(21)9-7-15/h3-13H,2,21-22H2,1H3
InChIKeyTYCVRQLQTREKCA-UHFFFAOYSA-N
XLogP4.75
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(4-aminophenyl)phenyl]-3-(3-phenylphenyl)aniline
CID 150238905
1-ethyl-3-(3-ethylphenyl)benzene;methanediamine
CID 134305122
2-chloro-4-(3-ethylphenyl)aniline
CID 107607723
4-(4-naphthalen-1-ylphenyl)-3-phenylaniline
CID 153294004
1,4-diethyl-2-(3-ethylphenyl)benzene
CID 102240202
3-(4-bromophenyl)-4-phenylaniline
CID 142474025
5-(3-ethylphenyl)-6-propan-2-ylpyridin-2-amine
CID 90322483
2-[3-(fluoromethyl)phenyl]benzene-1,4-diamine
CID 18371722
4-(3-ethylphenyl)-1,2-oxazol-5-amine
CID 117281180
4-[3,4-bis(4-aminophenyl)phenyl]aniline
CID 101079504
1-bromo-4-ethyl-2-(3-ethylphenyl)benzene
CID 142855411
4-chloro-1-(3-ethylphenyl)-2-methoxybenzene
CID 122487988

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-3-(3-ethylphenyl)aniline?
The IUPAC name of 4-(4-aminophenyl)-3-(3-ethylphenyl)aniline (CID 151958387) is 4-(4-aminophenyl)-3-(3-ethylphenyl)aniline.
What is the SMILES notation for 4-(4-aminophenyl)-3-(3-ethylphenyl)aniline?
The canonical SMILES for 4-(4-aminophenyl)-3-(3-ethylphenyl)aniline is CCc1cccc(-c2cc(N)ccc2-c2ccc(N)cc2)c1.
What is the InChIKey of 4-(4-aminophenyl)-3-(3-ethylphenyl)aniline?
The InChIKey is TYCVRQLQTREKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2/c1-2-14-4-3-5-16(12-14)20-13-18(22)10-11-19(20)15-6-8-17(21)9-7-15/h3-13H,2,21-22H2,1H3.
What are the key properties of 4-(4-aminophenyl)-3-(3-ethylphenyl)aniline?
4-(4-aminophenyl)-3-(3-ethylphenyl)aniline has a molecular weight of 288.39 g/mol, XLogP of 4.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-3-(3-ethylphenyl)aniline is sourced from PubChem (CID 151958387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).