N-[(E)-4-(4-methoxyphenyl)-2-methylbut-3-enyl]aniline

C18H21NO — CID 102526815

IUPACN-[(E)-4-(4-methoxyphenyl)-2-methylbut-3-enyl]aniline
SMILESCOc1ccc(/C=C/C(C)CNc2ccccc2)cc1
InChIInChI=1S/C18H21NO/c1-15(14-19-17-6-4-3-5-7-17)8-9-16-10-12-18(20-2)13-11-16/h3-13,15,19H,14H2,1-2H3/b9-8+
InChIKeyXCEVVADGIOILTA-CMDGGOBGSA-N
MW267.37 g/mol
LogP4.46
Rot. Bonds6

About N-[(E)-4-(4-methoxyphenyl)-2-methylbut-3-enyl]aniline

N-[(E)-4-(4-methoxyphenyl)-2-methylbut-3-enyl]aniline (PubChem CID 102526815) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[(E)-4-(4-methoxyphenyl)-2-methylbut-3-enyl]aniline.

Molecular Properties

Compound NameN-[(E)-4-(4-methoxyphenyl)-2-methylbut-3-enyl]aniline
PubChem CID102526815
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-[(E)-4-(4-methoxyphenyl)-2-methylbut-3-enyl]aniline
SMILESCOc1ccc(/C=C/C(C)CNc2ccccc2)cc1
InChIInChI=1S/C18H21NO/c1-15(14-19-17-6-4-3-5-7-17)8-9-16-10-12-18(20-2)13-11-16/h3-13,15,19H,14H2,1-2H3/b9-8+
InChIKeyXCEVVADGIOILTA-CMDGGOBGSA-N
XLogP4.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-methoxyphenyl)sulfanylpropyl]aniline
CID 55092272
1-N,2-N-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine
CID 68527948
1-anilino-3-(4-methoxyphenoxy)propan-2-ol
CID 45153561
1-methoxy-4-[(E)-3-[(2-methylpropan-2-yl)oxy]but-1-enyl]benzene
CID 14939551
1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene
CID 4560156
N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-2-methylpropan-1-amine
CID 50999745
N-[(E,1R)-1,3-diphenylprop-2-enyl]-4-methoxyaniline
CID 102394661
1-methoxy-4-[(E,3S)-4-phenyl-3-(4-propan-2-ylphenyl)but-1-enyl]benzene
CID 162401202
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
(E)-3-(4-methoxyphenyl)prop-2-ene-1,1-diol
CID 88979121
methyl (E)-4-(4-methoxyphenyl)-2-methylbut-3-enoate
CID 139242095
N-(4-methoxyphenyl)-N'-phenyl-1-(4-phenylphenyl)ethane-1,2-diamine
CID 150101041

Frequently Asked Questions

What is the IUPAC name of N-[(E)-4-(4-methoxyphenyl)-2-methylbut-3-enyl]aniline?
The IUPAC name of N-[(E)-4-(4-methoxyphenyl)-2-methylbut-3-enyl]aniline (CID 102526815) is N-[(E)-4-(4-methoxyphenyl)-2-methylbut-3-enyl]aniline.
What is the SMILES notation for N-[(E)-4-(4-methoxyphenyl)-2-methylbut-3-enyl]aniline?
The canonical SMILES for N-[(E)-4-(4-methoxyphenyl)-2-methylbut-3-enyl]aniline is COc1ccc(/C=C/C(C)CNc2ccccc2)cc1.
What is the InChIKey of N-[(E)-4-(4-methoxyphenyl)-2-methylbut-3-enyl]aniline?
The InChIKey is XCEVVADGIOILTA-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H21NO/c1-15(14-19-17-6-4-3-5-7-17)8-9-16-10-12-18(20-2)13-11-16/h3-13,15,19H,14H2,1-2H3/b9-8+.
What are the key properties of N-[(E)-4-(4-methoxyphenyl)-2-methylbut-3-enyl]aniline?
N-[(E)-4-(4-methoxyphenyl)-2-methylbut-3-enyl]aniline has a molecular weight of 267.37 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-(4-methoxyphenyl)-2-methylbut-3-enyl]aniline is sourced from PubChem (CID 102526815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).