2-[4-amino-3,5-bis(prop-2-enyl)phenyl]-4,6-bis(prop-2-enyl)aniline

C24H28N2 — CID 174853050

IUPAC2-[4-amino-3,5-bis(prop-2-enyl)phenyl]-4,6-bis(prop-2-enyl)aniline
SMILESC=CCc1cc(CC=C)c(N)c(-c2cc(CC=C)c(N)c(CC=C)c2)c1
InChIInChI=1S/C24H28N2/c1-5-9-17-13-18(10-6-2)24(26)22(14-17)21-15-19(11-7-3)23(25)20(16-21)12-8-4/h5-8,13-16H,1-4,9-12,25-26H2
InChIKeyCMGHGKKBXSJOFE-UHFFFAOYSA-N
MW344.50 g/mol
LogP5.43
Rot. Bonds9

About 2-[4-amino-3,5-bis(prop-2-enyl)phenyl]-4,6-bis(prop-2-enyl)aniline

2-[4-amino-3,5-bis(prop-2-enyl)phenyl]-4,6-bis(prop-2-enyl)aniline (PubChem CID 174853050) has the molecular formula C24H28N2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 2-[4-amino-3,5-bis(prop-2-enyl)phenyl]-4,6-bis(prop-2-enyl)aniline.

Molecular Properties

Compound Name2-[4-amino-3,5-bis(prop-2-enyl)phenyl]-4,6-bis(prop-2-enyl)aniline
PubChem CID174853050
Molecular FormulaC24H28N2
Molecular Weight344.50 g/mol
Exact Mass344.23
IUPAC Name2-[4-amino-3,5-bis(prop-2-enyl)phenyl]-4,6-bis(prop-2-enyl)aniline
SMILESC=CCc1cc(CC=C)c(N)c(-c2cc(CC=C)c(N)c(CC=C)c2)c1
InChIInChI=1S/C24H28N2/c1-5-9-17-13-18(10-6-2)24(26)22(14-17)21-15-19(11-7-3)23(25)20(16-21)12-8-4/h5-8,13-16H,1-4,9-12,25-26H2
InChIKeyCMGHGKKBXSJOFE-UHFFFAOYSA-N
XLogP5.43
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-amino-3,5-bis(prop-2-enyl)phenyl]methyl]-2,6-bis(prop-2-enyl)aniline
CID 66694747
2,4-bis(prop-2-enyl)aniline
CID 67154427
4-[2,4,6-tris(prop-2-enyl)phenyl]phenol
CID 70152198
2-[[di(propan-2-yl)amino]methyl]-6-[3-[[di(propan-2-yl)amino]methyl]-4-hydroxy-5-prop-2-enylphenyl]-4-prop-2-enylphenol
CID 171352292
1-ethyl-3,5-bis(prop-2-enyl)benzene
CID 158269021
2-methyl-3,5-bis(prop-2-enyl)pyridine
CID 67653617
N-[[2,4,6-tris(prop-2-enyl)phenyl]methyl]hydroxylamine
CID 88829456
3-prop-2-enoxyprop-1-ene;2,4,6-tris(prop-2-enyl)phenol
CID 67855244
3-(4,5-dihydroxy-2-prop-2-enylphenyl)-5-prop-2-enylbenzene-1,2-diol
CID 122206277
4,6,8-tris(prop-2-enyl)naphthalene-2-carboxylic acid
CID 139984859
N-[2-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)-5-prop-2-enylphenyl]acetamide
CID 166453549
3,4-dichloro-2,6-bis(prop-2-enyl)aniline
CID 88739383

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-3,5-bis(prop-2-enyl)phenyl]-4,6-bis(prop-2-enyl)aniline?
The IUPAC name of 2-[4-amino-3,5-bis(prop-2-enyl)phenyl]-4,6-bis(prop-2-enyl)aniline (CID 174853050) is 2-[4-amino-3,5-bis(prop-2-enyl)phenyl]-4,6-bis(prop-2-enyl)aniline.
What is the SMILES notation for 2-[4-amino-3,5-bis(prop-2-enyl)phenyl]-4,6-bis(prop-2-enyl)aniline?
The canonical SMILES for 2-[4-amino-3,5-bis(prop-2-enyl)phenyl]-4,6-bis(prop-2-enyl)aniline is C=CCc1cc(CC=C)c(N)c(-c2cc(CC=C)c(N)c(CC=C)c2)c1.
What is the InChIKey of 2-[4-amino-3,5-bis(prop-2-enyl)phenyl]-4,6-bis(prop-2-enyl)aniline?
The InChIKey is CMGHGKKBXSJOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2/c1-5-9-17-13-18(10-6-2)24(26)22(14-17)21-15-19(11-7-3)23(25)20(16-21)12-8-4/h5-8,13-16H,1-4,9-12,25-26H2.
What are the key properties of 2-[4-amino-3,5-bis(prop-2-enyl)phenyl]-4,6-bis(prop-2-enyl)aniline?
2-[4-amino-3,5-bis(prop-2-enyl)phenyl]-4,6-bis(prop-2-enyl)aniline has a molecular weight of 344.50 g/mol, XLogP of 5.43, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-3,5-bis(prop-2-enyl)phenyl]-4,6-bis(prop-2-enyl)aniline is sourced from PubChem (CID 174853050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).