N-(2-phenylethenyl)-2,6-di(propan-2-yl)aniline

C20H25N — CID 86234862

IUPACN-(2-phenylethenyl)-2,6-di(propan-2-yl)aniline
SMILESCC(C)c1cccc(C(C)C)c1NC=Cc1ccccc1
InChIInChI=1S/C20H25N/c1-15(2)18-11-8-12-19(16(3)4)20(18)21-14-13-17-9-6-5-7-10-17/h5-16,21H,1-4H3
InChIKeyVGIJUVFCZZTZJE-UHFFFAOYSA-N
MW279.43 g/mol
LogP6.02
Rot. Bonds5

About N-(2-phenylethenyl)-2,6-di(propan-2-yl)aniline

N-(2-phenylethenyl)-2,6-di(propan-2-yl)aniline (PubChem CID 86234862) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is N-(2-phenylethenyl)-2,6-di(propan-2-yl)aniline.

Molecular Properties

Compound NameN-(2-phenylethenyl)-2,6-di(propan-2-yl)aniline
PubChem CID86234862
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC NameN-(2-phenylethenyl)-2,6-di(propan-2-yl)aniline
SMILESCC(C)c1cccc(C(C)C)c1NC=Cc1ccccc1
InChIInChI=1S/C20H25N/c1-15(2)18-11-8-12-19(16(3)4)20(18)21-14-13-17-9-6-5-7-10-17/h5-16,21H,1-4H3
InChIKeyVGIJUVFCZZTZJE-UHFFFAOYSA-N
XLogP6.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.43
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2-phenylethenyl)-2,6-di(propan-2-yl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-di(propan-2-yl)-N-[(Z)-prop-1-enyl]aniline
CID 130282228
N-[2,6-di(propan-2-yl)phenyl]-N'-propan-2-ylmethanimidamide
CID 122212569
(E)-3-[2,6-di(propan-2-yl)anilino]-1-(2-phenylphenyl)prop-2-en-1-one
CID 177459724
trimethyl(2-phenylethenyl)phosphanium
CID 69015838
N-benzhydryl-2,6-di(propan-2-yl)aniline
CID 100979408
[(E)-2-[2,6-di(propan-2-yl)anilino]prop-1-enyl]-triphenylphosphanium
CID 87626126
N-[(Z)-3-[2,6-di(propan-2-yl)phenyl]imino-2-phenylprop-1-enyl]-2,6-di(propan-2-yl)aniline
CID 15909342
N-[2,6-di(propan-2-yl)phenyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 8545309
1-(2-phenylethenyl)-4-propan-2-ylbenzene
CID 53397765
2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;nickel;[(E)-prop-1-enyl]benzene
CID 139167024
N-diphenylphosphoryl-2,6-di(propan-2-yl)aniline
CID 102170611
bis[[2,6-di(propan-2-yl)anilino]-diphenyl-λ5-phosphanylidene]azanium
CID 139185972

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethenyl)-2,6-di(propan-2-yl)aniline?
The IUPAC name of N-(2-phenylethenyl)-2,6-di(propan-2-yl)aniline (CID 86234862) is N-(2-phenylethenyl)-2,6-di(propan-2-yl)aniline.
What is the SMILES notation for N-(2-phenylethenyl)-2,6-di(propan-2-yl)aniline?
The canonical SMILES for N-(2-phenylethenyl)-2,6-di(propan-2-yl)aniline is CC(C)c1cccc(C(C)C)c1NC=Cc1ccccc1.
What is the InChIKey of N-(2-phenylethenyl)-2,6-di(propan-2-yl)aniline?
The InChIKey is VGIJUVFCZZTZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-15(2)18-11-8-12-19(16(3)4)20(18)21-14-13-17-9-6-5-7-10-17/h5-16,21H,1-4H3.
What are the key properties of N-(2-phenylethenyl)-2,6-di(propan-2-yl)aniline?
N-(2-phenylethenyl)-2,6-di(propan-2-yl)aniline has a molecular weight of 279.43 g/mol, XLogP of 6.02, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethenyl)-2,6-di(propan-2-yl)aniline is sourced from PubChem (CID 86234862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).