Naftifine

C21H21N — CID 47641

IUPAC(E)-N-methyl-N-(naphthalen-1-ylmethyl)-3-phenylprop-2-en-1-amine
SMILESCN(C/C=C/C1=CC=CC=C1)CC2=CC=CC3=CC=CC=C32
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-DHZHZOJOSA-N
MW287.40 g/mol
LogP5.10
Rot. Bonds5

About Naftifine

Naftifine (PubChem CID 47641) has the molecular formula C21H21N and a molecular weight of 287.40 g/mol. Its IUPAC name is (E)-N-methyl-N-(naphthalen-1-ylmethyl)-3-phenylprop-2-en-1-amine.

Molecular Properties

Compound NameNaftifine
PubChem CID47641
Molecular FormulaC21H21N
Molecular Weight287.40 g/mol
Exact Mass287.17
IUPAC Name(E)-N-methyl-N-(naphthalen-1-ylmethyl)-3-phenylprop-2-en-1-amine
SMILESCN(C/C=C/C1=CC=CC=C1)CC2=CC=CC3=CC=CC=C32
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-DHZHZOJOSA-N
XLogP5.10
TPSA3.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity342

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.40
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Azapetine
CID 8966
Xaliproden
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Butenafine Hydrochloride
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CID 5281098
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CID 128918
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CID 701891

Frequently Asked Questions

What is the IUPAC name of Naftifine?
The IUPAC name of Naftifine (CID 47641) is (E)-N-methyl-N-(naphthalen-1-ylmethyl)-3-phenylprop-2-en-1-amine.
What is the SMILES notation for Naftifine?
The canonical SMILES for Naftifine is CN(C/C=C/C1=CC=CC=C1)CC2=CC=CC3=CC=CC=C32.
What is the InChIKey of Naftifine?
The InChIKey is OZGNYLLQHRPOBR-DHZHZOJOSA-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 Naftifine?
Naftifine has a molecular weight of 287.40 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Naftifine is sourced from PubChem (CID 47641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).