N-methyl-N-[(E)-3-(4-methylphenyl)prop-2-enyl]naphthalen-1-amine;hydrochloride

C21H22ClN — CID 141457473

IUPACN-methyl-N-[(E)-3-(4-methylphenyl)prop-2-enyl]naphthalen-1-amine;hydrochloride
SMILESCc1ccc(/C=C/CN(C)c2cccc3ccccc23)cc1.Cl
InChIInChI=1S/C21H21N.ClH/c1-17-12-14-18(15-13-17)7-6-16-22(2)21-11-5-9-19-8-3-4-10-20(19)21;/h3-15H,16H2,1-2H3;1H/b7-6+;
InChIKeyAQLZBNXZHFCKBZ-UHDJGPCESA-N
MW323.87 g/mol
LogP5.72
Rot. Bonds4

About N-methyl-N-[(E)-3-(4-methylphenyl)prop-2-enyl]naphthalen-1-amine;hydrochloride

N-methyl-N-[(E)-3-(4-methylphenyl)prop-2-enyl]naphthalen-1-amine;hydrochloride (PubChem CID 141457473) has the molecular formula C21H22ClN and a molecular weight of 323.87 g/mol. Its IUPAC name is N-methyl-N-[(E)-3-(4-methylphenyl)prop-2-enyl]naphthalen-1-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[(E)-3-(4-methylphenyl)prop-2-enyl]naphthalen-1-amine;hydrochloride
PubChem CID141457473
Molecular FormulaC21H22ClN
Molecular Weight323.87 g/mol
Exact Mass323.14
IUPAC NameN-methyl-N-[(E)-3-(4-methylphenyl)prop-2-enyl]naphthalen-1-amine;hydrochloride
SMILESCc1ccc(/C=C/CN(C)c2cccc3ccccc23)cc1.Cl
InChIInChI=1S/C21H21N.ClH/c1-17-12-14-18(15-13-17)7-6-16-22(2)21-11-5-9-19-8-3-4-10-20(19)21;/h3-15H,16H2,1-2H3;1H/b7-6+;
InChIKeyAQLZBNXZHFCKBZ-UHDJGPCESA-N
XLogP5.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.87
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(E)-3-(4-methylphenyl)prop-2-enyl]naphthalene
CID 142146166
N,N-diphenyl-4-[2-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline;4-methyl-N-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;4-methyl-N-[4-[2-[4-[2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline;N-[4-[4-[N-naphthalen-1-yl-4-(2-phenylethenyl)anilino]phenyl]phenyl]-N-[4-(2-phenylethenyl)phenyl]naphthalen-1-amine
CID 161488206
N-(bromomethyl)-N-methylnaphthalen-1-amine
CID 115261813
N-[4-[(Z)-2-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]ethenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 160623452
N-[4-[4-[(E)-2-[4-[4-(2-methyl-N-naphthalen-1-ylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-N-(2-methylphenyl)naphthalen-1-amine
CID 89068089
4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]aniline
CID 58933310
2-[methyl(naphthalen-1-yl)amino]ethanethiol
CID 115223888
ethene;N-methyl-N-[(2Z,4E)-4-nitrohexa-2,4-dienyl]naphthalen-1-amine
CID 143268830
4-methyl-N,N-bis[(E)-3-phenylprop-2-enyl]aniline
CID 10617075
3-[methyl(naphthalen-1-yl)amino]propanenitrile
CID 115230840
N-[4-(4-methylphenyl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 70891308
N-(3-methylphenyl)-N-[4-[4-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine
CID 91284836

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(E)-3-(4-methylphenyl)prop-2-enyl]naphthalen-1-amine;hydrochloride?
The IUPAC name of N-methyl-N-[(E)-3-(4-methylphenyl)prop-2-enyl]naphthalen-1-amine;hydrochloride (CID 141457473) is N-methyl-N-[(E)-3-(4-methylphenyl)prop-2-enyl]naphthalen-1-amine;hydrochloride.
What is the SMILES notation for N-methyl-N-[(E)-3-(4-methylphenyl)prop-2-enyl]naphthalen-1-amine;hydrochloride?
The canonical SMILES for N-methyl-N-[(E)-3-(4-methylphenyl)prop-2-enyl]naphthalen-1-amine;hydrochloride is Cc1ccc(/C=C/CN(C)c2cccc3ccccc23)cc1.Cl.
What is the InChIKey of N-methyl-N-[(E)-3-(4-methylphenyl)prop-2-enyl]naphthalen-1-amine;hydrochloride?
The InChIKey is AQLZBNXZHFCKBZ-UHDJGPCESA-N. The full InChI is InChI=1S/C21H21N.ClH/c1-17-12-14-18(15-13-17)7-6-16-22(2)21-11-5-9-19-8-3-4-10-20(19)21;/h3-15H,16H2,1-2H3;1H/b7-6+;.
What are the key properties of N-methyl-N-[(E)-3-(4-methylphenyl)prop-2-enyl]naphthalen-1-amine;hydrochloride?
N-methyl-N-[(E)-3-(4-methylphenyl)prop-2-enyl]naphthalen-1-amine;hydrochloride has a molecular weight of 323.87 g/mol, XLogP of 5.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-3-(4-methylphenyl)prop-2-enyl]naphthalen-1-amine;hydrochloride is sourced from PubChem (CID 141457473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).