2-[4-(1-aminoethyl)-3-methylphenyl]-6-[(Z)-3-(4-aminophenyl)prop-1-enyl]aniline

C24H27N3 — CID 142621879

IUPAC2-[4-(1-aminoethyl)-3-methylphenyl]-6-[(Z)-3-(4-aminophenyl)prop-1-enyl]aniline
SMILESCc1cc(-c2cccc(/C=C\Cc3ccc(N)cc3)c2N)ccc1C(C)N
InChIInChI=1S/C24H27N3/c1-16-15-20(11-14-22(16)17(2)25)23-8-4-7-19(24(23)27)6-3-5-18-9-12-21(26)13-10-18/h3-4,6-15,17H,5,25-27H2,1-2H3/b6-3-
InChIKeyDXIBJXVBRTXLRT-UTCJRWHESA-N
MW357.50 g/mol
LogP5.10
Rot. Bonds5

About 2-[4-(1-aminoethyl)-3-methylphenyl]-6-[(Z)-3-(4-aminophenyl)prop-1-enyl]aniline

2-[4-(1-aminoethyl)-3-methylphenyl]-6-[(Z)-3-(4-aminophenyl)prop-1-enyl]aniline (PubChem CID 142621879) has the molecular formula C24H27N3 and a molecular weight of 357.50 g/mol. Its IUPAC name is 2-[4-(1-aminoethyl)-3-methylphenyl]-6-[(Z)-3-(4-aminophenyl)prop-1-enyl]aniline.

Molecular Properties

Compound Name2-[4-(1-aminoethyl)-3-methylphenyl]-6-[(Z)-3-(4-aminophenyl)prop-1-enyl]aniline
PubChem CID142621879
Molecular FormulaC24H27N3
Molecular Weight357.50 g/mol
Exact Mass357.22
IUPAC Name2-[4-(1-aminoethyl)-3-methylphenyl]-6-[(Z)-3-(4-aminophenyl)prop-1-enyl]aniline
SMILESCc1cc(-c2cccc(/C=C\Cc3ccc(N)cc3)c2N)ccc1C(C)N
InChIInChI=1S/C24H27N3/c1-16-15-20(11-14-22(16)17(2)25)23-8-4-7-19(24(23)27)6-3-5-18-9-12-21(26)13-10-18/h3-4,6-15,17H,5,25-27H2,1-2H3/b6-3-
InChIKeyDXIBJXVBRTXLRT-UTCJRWHESA-N
XLogP5.10
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.50
LogP ≤ 55.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(1R)-1-aminoethyl]-3-methylaniline
CID 55273899
1-[2-methyl-5-(2-methylphenyl)phenyl]ethanamine
CID 115035167
1-[2-(4-fluoro-3-methylphenyl)phenyl]ethanamine
CID 54911668
4-[(1R)-1-amino-2-methylpropyl]-3-methylaniline
CID 55275534
2-[(Z)-3-[3-(2-aminophenyl)phenyl]prop-1-enyl]-N-methylaniline
CID 118930745
4-(2-amino-3-methylphenyl)but-3-en-1-ol
CID 170476272
2-methyl-6-(3-propan-2-ylphenyl)aniline
CID 172649943
(Z)-4-[4-(2-methylphenyl)phenyl]but-2-en-1-amine
CID 145021228
1-[2-(3-methylphenyl)phenyl]ethanamine
CID 61033604
(E)-3-[2-(1-aminoethyl)phenyl]prop-2-en-1-ol
CID 178014118
1-(4-fluoro-2-methylphenyl)ethanamine
CID 62791014
4-[4-(4-prop-2-enylphenyl)phenyl]aniline
CID 123704346

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminoethyl)-3-methylphenyl]-6-[(Z)-3-(4-aminophenyl)prop-1-enyl]aniline?
The IUPAC name of 2-[4-(1-aminoethyl)-3-methylphenyl]-6-[(Z)-3-(4-aminophenyl)prop-1-enyl]aniline (CID 142621879) is 2-[4-(1-aminoethyl)-3-methylphenyl]-6-[(Z)-3-(4-aminophenyl)prop-1-enyl]aniline.
What is the SMILES notation for 2-[4-(1-aminoethyl)-3-methylphenyl]-6-[(Z)-3-(4-aminophenyl)prop-1-enyl]aniline?
The canonical SMILES for 2-[4-(1-aminoethyl)-3-methylphenyl]-6-[(Z)-3-(4-aminophenyl)prop-1-enyl]aniline is Cc1cc(-c2cccc(/C=C\Cc3ccc(N)cc3)c2N)ccc1C(C)N.
What is the InChIKey of 2-[4-(1-aminoethyl)-3-methylphenyl]-6-[(Z)-3-(4-aminophenyl)prop-1-enyl]aniline?
The InChIKey is DXIBJXVBRTXLRT-UTCJRWHESA-N. The full InChI is InChI=1S/C24H27N3/c1-16-15-20(11-14-22(16)17(2)25)23-8-4-7-19(24(23)27)6-3-5-18-9-12-21(26)13-10-18/h3-4,6-15,17H,5,25-27H2,1-2H3/b6-3-.
What are the key properties of 2-[4-(1-aminoethyl)-3-methylphenyl]-6-[(Z)-3-(4-aminophenyl)prop-1-enyl]aniline?
2-[4-(1-aminoethyl)-3-methylphenyl]-6-[(Z)-3-(4-aminophenyl)prop-1-enyl]aniline has a molecular weight of 357.50 g/mol, XLogP of 5.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminoethyl)-3-methylphenyl]-6-[(Z)-3-(4-aminophenyl)prop-1-enyl]aniline is sourced from PubChem (CID 142621879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).