(E)-N-benzyl-N-methyl-3-naphthalen-2-ylbut-2-en-1-amine;hydrochloride

C22H24ClN — CID 57400894

IUPAC(E)-N-benzyl-N-methyl-3-naphthalen-2-ylbut-2-en-1-amine;hydrochloride
SMILESC/C(=C\CN(C)Cc1ccccc1)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C22H23N.ClH/c1-18(14-15-23(2)17-19-8-4-3-5-9-19)21-13-12-20-10-6-7-11-22(20)16-21;/h3-14,16H,15,17H2,1-2H3;1H/b18-14+;
InChIKeyNAVUWXLSZHXOQK-LSJACRKWSA-N
MW337.89 g/mol
LogP5.80
Rot. Bonds5

About (E)-N-benzyl-N-methyl-3-naphthalen-2-ylbut-2-en-1-amine;hydrochloride

(E)-N-benzyl-N-methyl-3-naphthalen-2-ylbut-2-en-1-amine;hydrochloride (PubChem CID 57400894) has the molecular formula C22H24ClN and a molecular weight of 337.89 g/mol. Its IUPAC name is (E)-N-benzyl-N-methyl-3-naphthalen-2-ylbut-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(E)-N-benzyl-N-methyl-3-naphthalen-2-ylbut-2-en-1-amine;hydrochloride
PubChem CID57400894
Molecular FormulaC22H24ClN
Molecular Weight337.89 g/mol
Exact Mass337.16
IUPAC Name(E)-N-benzyl-N-methyl-3-naphthalen-2-ylbut-2-en-1-amine;hydrochloride
SMILESC/C(=C\CN(C)Cc1ccccc1)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C22H23N.ClH/c1-18(14-15-23(2)17-19-8-4-3-5-9-19)21-13-12-20-10-6-7-11-22(20)16-21;/h3-14,16H,15,17H2,1-2H3;1H/b18-14+;
InChIKeyNAVUWXLSZHXOQK-LSJACRKWSA-N
XLogP5.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.89
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-N-methyl-3-naphthalen-2-ylbut-2-en-1-amine;hydrochloride?
The IUPAC name of (E)-N-benzyl-N-methyl-3-naphthalen-2-ylbut-2-en-1-amine;hydrochloride (CID 57400894) is (E)-N-benzyl-N-methyl-3-naphthalen-2-ylbut-2-en-1-amine;hydrochloride.
What is the SMILES notation for (E)-N-benzyl-N-methyl-3-naphthalen-2-ylbut-2-en-1-amine;hydrochloride?
The canonical SMILES for (E)-N-benzyl-N-methyl-3-naphthalen-2-ylbut-2-en-1-amine;hydrochloride is C/C(=C\CN(C)Cc1ccccc1)c1ccc2ccccc2c1.Cl.
What is the InChIKey of (E)-N-benzyl-N-methyl-3-naphthalen-2-ylbut-2-en-1-amine;hydrochloride?
The InChIKey is NAVUWXLSZHXOQK-LSJACRKWSA-N. The full InChI is InChI=1S/C22H23N.ClH/c1-18(14-15-23(2)17-19-8-4-3-5-9-19)21-13-12-20-10-6-7-11-22(20)16-21;/h3-14,16H,15,17H2,1-2H3;1H/b18-14+;.
What are the key properties of (E)-N-benzyl-N-methyl-3-naphthalen-2-ylbut-2-en-1-amine;hydrochloride?
(E)-N-benzyl-N-methyl-3-naphthalen-2-ylbut-2-en-1-amine;hydrochloride has a molecular weight of 337.89 g/mol, XLogP of 5.80, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-N-methyl-3-naphthalen-2-ylbut-2-en-1-amine;hydrochloride is sourced from PubChem (CID 57400894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).