N-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]-N-methylaniline

C20H25N — CID 164888002

IUPACN-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]-N-methylaniline
SMILESCN(C/C=C/c1ccc(C(C)(C)C)cc1)c1ccccc1
InChIInChI=1S/C20H25N/c1-20(2,3)18-14-12-17(13-15-18)9-8-16-21(4)19-10-6-5-7-11-19/h5-15H,16H2,1-4H3/b9-8+
InChIKeyLCEPOQMHKRDFKQ-CMDGGOBGSA-N
MW279.43 g/mol
LogP5.13
Rot. Bonds4

About N-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]-N-methylaniline

N-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]-N-methylaniline (PubChem CID 164888002) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]-N-methylaniline.

Molecular Properties

Compound NameN-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]-N-methylaniline
PubChem CID164888002
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC NameN-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]-N-methylaniline
SMILESCN(C/C=C/c1ccc(C(C)(C)C)cc1)c1ccccc1
InChIInChI=1S/C20H25N/c1-20(2,3)18-14-12-17(13-15-18)9-8-16-21(4)19-10-6-5-7-11-19/h5-15H,16H2,1-4H3/b9-8+
InChIKeyLCEPOQMHKRDFKQ-CMDGGOBGSA-N
XLogP5.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.43
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]-N-methylaniline 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

1-tert-butyl-4-(3-phenylprop-1-enyl)benzene
CID 71390379
2-(4-tert-butyl-N-methylanilino)acetaldehyde
CID 115222720
N-tert-butyl-2-methyl-N-(3-phenylprop-2-enyl)propan-2-amine
CID 139724022
N-ethyl-N-(3-phenylprop-2-enyl)aniline;hydrochloride
CID 173290020
1-(3-bromoprop-1-enyl)-4-tert-butylbenzene
CID 79323485
1,4-bis[(Z)-2-(4-tert-butylphenyl)ethenyl]benzene
CID 102332044
N-(4-tert-butylphenyl)-4-methyl-N-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]aniline
CID 89067836
N-[4-[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 89067517
N-(4-tert-butylphenyl)-2-methyl-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]aniline
CID 91106273
(E)-6-(4-tert-butylphenyl)hex-5-enoic acid
CID 95457618
N,N-dimethyl-4-[(E)-3-phenylprop-1-enyl]aniline
CID 10728588
4-tert-butyl-N-(4-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide
CID 42696245

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]-N-methylaniline?
The IUPAC name of N-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]-N-methylaniline (CID 164888002) is N-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]-N-methylaniline.
What is the SMILES notation for N-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]-N-methylaniline?
The canonical SMILES for N-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]-N-methylaniline is CN(C/C=C/c1ccc(C(C)(C)C)cc1)c1ccccc1.
What is the InChIKey of N-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]-N-methylaniline?
The InChIKey is LCEPOQMHKRDFKQ-CMDGGOBGSA-N. The full InChI is InChI=1S/C20H25N/c1-20(2,3)18-14-12-17(13-15-18)9-8-16-21(4)19-10-6-5-7-11-19/h5-15H,16H2,1-4H3/b9-8+.
What are the key properties of N-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]-N-methylaniline?
N-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]-N-methylaniline has a molecular weight of 279.43 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]-N-methylaniline is sourced from PubChem (CID 164888002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).