(Z)-N-methyl-N-(naphthalen-1-ylmethyl)-3-phenylprop-2-en-1-amine

C21H21N — CID 6604425

IUPAC(Z)-N-methyl-N-(naphthalen-1-ylmethyl)-3-phenylprop-2-en-1-amine
SMILESCN(C/C=C\c1ccccc1)Cc1cccc2ccccc12
InChIInChI=1S/C21H21N/c1-22(16-8-11-18-9-3-2-4-10-18)17-20-14-7-13-19-12-5-6-15-21(19)20/h2-15H,16-17H2,1H3/b11-8-
InChIKeyOZGNYLLQHRPOBR-FLIBITNWSA-N
MW287.41 g/mol
LogP4.99
Rot. Bonds5

About (Z)-N-methyl-N-(naphthalen-1-ylmethyl)-3-phenylprop-2-en-1-amine

(Z)-N-methyl-N-(naphthalen-1-ylmethyl)-3-phenylprop-2-en-1-amine (PubChem CID 6604425) has the molecular formula C21H21N and a molecular weight of 287.41 g/mol. Its IUPAC name is (Z)-N-methyl-N-(naphthalen-1-ylmethyl)-3-phenylprop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-N-methyl-N-(naphthalen-1-ylmethyl)-3-phenylprop-2-en-1-amine
PubChem CID6604425
Molecular FormulaC21H21N
Molecular Weight287.41 g/mol
Exact Mass287.17
IUPAC Name(Z)-N-methyl-N-(naphthalen-1-ylmethyl)-3-phenylprop-2-en-1-amine
SMILESCN(C/C=C\c1ccccc1)Cc1cccc2ccccc12
InChIInChI=1S/C21H21N/c1-22(16-8-11-18-9-3-2-4-10-18)17-20-14-7-13-19-12-5-6-15-21(19)20/h2-15H,16-17H2,1H3/b11-8-
InChIKeyOZGNYLLQHRPOBR-FLIBITNWSA-N
XLogP4.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-N-(naphthalen-1-ylmethyl)-3-phenylprop-2-en-1-amine?
The IUPAC name of (Z)-N-methyl-N-(naphthalen-1-ylmethyl)-3-phenylprop-2-en-1-amine (CID 6604425) is (Z)-N-methyl-N-(naphthalen-1-ylmethyl)-3-phenylprop-2-en-1-amine.
What is the SMILES notation for (Z)-N-methyl-N-(naphthalen-1-ylmethyl)-3-phenylprop-2-en-1-amine?
The canonical SMILES for (Z)-N-methyl-N-(naphthalen-1-ylmethyl)-3-phenylprop-2-en-1-amine is CN(C/C=C\c1ccccc1)Cc1cccc2ccccc12.
What is the InChIKey of (Z)-N-methyl-N-(naphthalen-1-ylmethyl)-3-phenylprop-2-en-1-amine?
The InChIKey is OZGNYLLQHRPOBR-FLIBITNWSA-N. The full InChI is InChI=1S/C21H21N/c1-22(16-8-11-18-9-3-2-4-10-18)17-20-14-7-13-19-12-5-6-15-21(19)20/h2-15H,16-17H2,1H3/b11-8-.
What are the key properties of (Z)-N-methyl-N-(naphthalen-1-ylmethyl)-3-phenylprop-2-en-1-amine?
(Z)-N-methyl-N-(naphthalen-1-ylmethyl)-3-phenylprop-2-en-1-amine has a molecular weight of 287.41 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-N-(naphthalen-1-ylmethyl)-3-phenylprop-2-en-1-amine is sourced from PubChem (CID 6604425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).