N-(1-phenylethenyl)-2,6-di(propan-2-yl)aniline

C20H25N — CID 102155026

IUPACN-(1-phenylethenyl)-2,6-di(propan-2-yl)aniline
SMILESC=C(Nc1c(C(C)C)cccc1C(C)C)c1ccccc1
InChIInChI=1S/C20H25N/c1-14(2)18-12-9-13-19(15(3)4)20(18)21-16(5)17-10-7-6-8-11-17/h6-15,21H,5H2,1-4H3
InChIKeyPYXXSYREERYGEE-UHFFFAOYSA-N
MW279.43 g/mol
LogP6.02
Rot. Bonds5

About N-(1-phenylethenyl)-2,6-di(propan-2-yl)aniline

N-(1-phenylethenyl)-2,6-di(propan-2-yl)aniline (PubChem CID 102155026) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is N-(1-phenylethenyl)-2,6-di(propan-2-yl)aniline.

Molecular Properties

Compound NameN-(1-phenylethenyl)-2,6-di(propan-2-yl)aniline
PubChem CID102155026
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC NameN-(1-phenylethenyl)-2,6-di(propan-2-yl)aniline
SMILESC=C(Nc1c(C(C)C)cccc1C(C)C)c1ccccc1
InChIInChI=1S/C20H25N/c1-14(2)18-12-9-13-19(15(3)4)20(18)21-16(5)17-10-7-6-8-11-17/h6-15,21H,5H2,1-4H3
InChIKeyPYXXSYREERYGEE-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-(1-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

N-[2,6-di(propan-2-yl)phenyl]benzamide
CID 709320
N-[2,6-di(propan-2-yl)phenyl]benzamide;hydroiodide
CID 175991462
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
[(E)-2-[2,6-di(propan-2-yl)anilino]prop-1-enyl]-triphenylphosphanium
CID 87626126
N,N-di(propan-2-yl)aniline;N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 67447227
(2S)-N-[2,6-di(propan-2-yl)phenyl]-2-phenoxypropanamide
CID 8779154
N-[3-[2,6-di(propan-2-yl)anilino]-3-oxo-1-phenylpropyl]benzamide
CID 42993313
1-benzoyl-N-[2,6-di(propan-2-yl)phenyl]piperidine-4-carboxamide
CID 113008347
N-[2,6-di(propan-2-yl)phenyl]-2-hydroxybenzamide
CID 121296745
1-[2,6-di(propan-2-yl)phenyl]-3-sulfanylurea
CID 142150395
N-[4-[2,6-di(propan-2-yl)phenyl]iminopent-1-en-2-yl]-2,6-di(propan-2-yl)aniline
CID 139113697
1-propan-2-yl-2-prop-1-en-2-ylbenzene;1-propan-2-yl-3-prop-1-en-2-ylbenzene
CID 173398854

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethenyl)-2,6-di(propan-2-yl)aniline?
The IUPAC name of N-(1-phenylethenyl)-2,6-di(propan-2-yl)aniline (CID 102155026) is N-(1-phenylethenyl)-2,6-di(propan-2-yl)aniline.
What is the SMILES notation for N-(1-phenylethenyl)-2,6-di(propan-2-yl)aniline?
The canonical SMILES for N-(1-phenylethenyl)-2,6-di(propan-2-yl)aniline is C=C(Nc1c(C(C)C)cccc1C(C)C)c1ccccc1.
What is the InChIKey of N-(1-phenylethenyl)-2,6-di(propan-2-yl)aniline?
The InChIKey is PYXXSYREERYGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-14(2)18-12-9-13-19(15(3)4)20(18)21-16(5)17-10-7-6-8-11-17/h6-15,21H,5H2,1-4H3.
What are the key properties of N-(1-phenylethenyl)-2,6-di(propan-2-yl)aniline?
N-(1-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-(1-phenylethenyl)-2,6-di(propan-2-yl)aniline is sourced from PubChem (CID 102155026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).