(E)-N-benzyl-3-(6-methoxynaphthalen-2-yl)-N-methylbut-2-en-1-amine

C23H25NO — CID 46231024

IUPAC(E)-N-benzyl-3-(6-methoxynaphthalen-2-yl)-N-methylbut-2-en-1-amine
SMILESCOc1ccc2cc(/C(C)=C/CN(C)Cc3ccccc3)ccc2c1
InChIInChI=1S/C23H25NO/c1-18(13-14-24(2)17-19-7-5-4-6-8-19)20-9-10-22-16-23(25-3)12-11-21(22)15-20/h4-13,15-16H,14,17H2,1-3H3/b18-13+
InChIKeySRRKCCOPYLAHAA-QGOAFFKASA-N
MW331.46 g/mol
LogP5.38
Rot. Bonds6

About (E)-N-benzyl-3-(6-methoxynaphthalen-2-yl)-N-methylbut-2-en-1-amine

(E)-N-benzyl-3-(6-methoxynaphthalen-2-yl)-N-methylbut-2-en-1-amine (PubChem CID 46231024) has the molecular formula C23H25NO and a molecular weight of 331.46 g/mol. Its IUPAC name is (E)-N-benzyl-3-(6-methoxynaphthalen-2-yl)-N-methylbut-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-benzyl-3-(6-methoxynaphthalen-2-yl)-N-methylbut-2-en-1-amine
PubChem CID46231024
Molecular FormulaC23H25NO
Molecular Weight331.46 g/mol
Exact Mass331.19
IUPAC Name(E)-N-benzyl-3-(6-methoxynaphthalen-2-yl)-N-methylbut-2-en-1-amine
SMILESCOc1ccc2cc(/C(C)=C/CN(C)Cc3ccccc3)ccc2c1
InChIInChI=1S/C23H25NO/c1-18(13-14-24(2)17-19-7-5-4-6-8-19)20-9-10-22-16-23(25-3)12-11-21(22)15-20/h4-13,15-16H,14,17H2,1-3H3/b18-13+
InChIKeySRRKCCOPYLAHAA-QGOAFFKASA-N
XLogP5.38
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.46
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-3-(6-methoxynaphthalen-2-yl)-N-methylbut-2-en-1-amine?
The IUPAC name of (E)-N-benzyl-3-(6-methoxynaphthalen-2-yl)-N-methylbut-2-en-1-amine (CID 46231024) is (E)-N-benzyl-3-(6-methoxynaphthalen-2-yl)-N-methylbut-2-en-1-amine.
What is the SMILES notation for (E)-N-benzyl-3-(6-methoxynaphthalen-2-yl)-N-methylbut-2-en-1-amine?
The canonical SMILES for (E)-N-benzyl-3-(6-methoxynaphthalen-2-yl)-N-methylbut-2-en-1-amine is COc1ccc2cc(/C(C)=C/CN(C)Cc3ccccc3)ccc2c1.
What is the InChIKey of (E)-N-benzyl-3-(6-methoxynaphthalen-2-yl)-N-methylbut-2-en-1-amine?
The InChIKey is SRRKCCOPYLAHAA-QGOAFFKASA-N. The full InChI is InChI=1S/C23H25NO/c1-18(13-14-24(2)17-19-7-5-4-6-8-19)20-9-10-22-16-23(25-3)12-11-21(22)15-20/h4-13,15-16H,14,17H2,1-3H3/b18-13+.
What are the key properties of (E)-N-benzyl-3-(6-methoxynaphthalen-2-yl)-N-methylbut-2-en-1-amine?
(E)-N-benzyl-3-(6-methoxynaphthalen-2-yl)-N-methylbut-2-en-1-amine has a molecular weight of 331.46 g/mol, XLogP of 5.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-3-(6-methoxynaphthalen-2-yl)-N-methylbut-2-en-1-amine is sourced from PubChem (CID 46231024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).