N-[(5-chlorofuran-2-yl)methyl]naphthalen-2-amine

C15H12ClNO — CID 60780199

IUPACN-[(5-chlorofuran-2-yl)methyl]naphthalen-2-amine
SMILESClc1ccc(CNc2ccc3ccccc3c2)o1
InChIInChI=1S/C15H12ClNO/c16-15-8-7-14(18-15)10-17-13-6-5-11-3-1-2-4-12(11)9-13/h1-9,17H,10H2
InChIKeyXQJJINUXRLQBLV-UHFFFAOYSA-N
MW257.72 g/mol
LogP4.70
Rot. Bonds3

About N-[(5-chlorofuran-2-yl)methyl]naphthalen-2-amine

N-[(5-chlorofuran-2-yl)methyl]naphthalen-2-amine (PubChem CID 60780199) has the molecular formula C15H12ClNO and a molecular weight of 257.72 g/mol. Its IUPAC name is N-[(5-chlorofuran-2-yl)methyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-[(5-chlorofuran-2-yl)methyl]naphthalen-2-amine
PubChem CID60780199
Molecular FormulaC15H12ClNO
Molecular Weight257.72 g/mol
Exact Mass257.06
IUPAC NameN-[(5-chlorofuran-2-yl)methyl]naphthalen-2-amine
SMILESClc1ccc(CNc2ccc3ccccc3c2)o1
InChIInChI=1S/C15H12ClNO/c16-15-8-7-14(18-15)10-17-13-6-5-11-3-1-2-4-12(11)9-13/h1-9,17H,10H2
InChIKeyXQJJINUXRLQBLV-UHFFFAOYSA-N
XLogP4.70
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorofuran-2-yl)methyl]naphthalen-2-amine?
The IUPAC name of N-[(5-chlorofuran-2-yl)methyl]naphthalen-2-amine (CID 60780199) is N-[(5-chlorofuran-2-yl)methyl]naphthalen-2-amine.
What is the SMILES notation for N-[(5-chlorofuran-2-yl)methyl]naphthalen-2-amine?
The canonical SMILES for N-[(5-chlorofuran-2-yl)methyl]naphthalen-2-amine is Clc1ccc(CNc2ccc3ccccc3c2)o1.
What is the InChIKey of N-[(5-chlorofuran-2-yl)methyl]naphthalen-2-amine?
The InChIKey is XQJJINUXRLQBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO/c16-15-8-7-14(18-15)10-17-13-6-5-11-3-1-2-4-12(11)9-13/h1-9,17H,10H2.
What are the key properties of N-[(5-chlorofuran-2-yl)methyl]naphthalen-2-amine?
N-[(5-chlorofuran-2-yl)methyl]naphthalen-2-amine has a molecular weight of 257.72 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorofuran-2-yl)methyl]naphthalen-2-amine is sourced from PubChem (CID 60780199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).