N-[(5-bromofuran-2-yl)methyl]-1-naphthalen-1-ylmethanamine

C16H14BrNO — CID 62369252

IUPACN-[(5-bromofuran-2-yl)methyl]-1-naphthalen-1-ylmethanamine
SMILESBrc1ccc(CNCc2cccc3ccccc23)o1
InChIInChI=1S/C16H14BrNO/c17-16-9-8-14(19-16)11-18-10-13-6-3-5-12-4-1-2-7-15(12)13/h1-9,18H,10-11H2
InChIKeyFCJXUWKBUPWWOR-UHFFFAOYSA-N
MW316.20 g/mol
LogP4.49
Rot. Bonds4

About N-[(5-bromofuran-2-yl)methyl]-1-naphthalen-1-ylmethanamine

N-[(5-bromofuran-2-yl)methyl]-1-naphthalen-1-ylmethanamine (PubChem CID 62369252) has the molecular formula C16H14BrNO and a molecular weight of 316.20 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methyl]-1-naphthalen-1-ylmethanamine.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methyl]-1-naphthalen-1-ylmethanamine
PubChem CID62369252
Molecular FormulaC16H14BrNO
Molecular Weight316.20 g/mol
Exact Mass315.03
IUPAC NameN-[(5-bromofuran-2-yl)methyl]-1-naphthalen-1-ylmethanamine
SMILESBrc1ccc(CNCc2cccc3ccccc23)o1
InChIInChI=1S/C16H14BrNO/c17-16-9-8-14(19-16)11-18-10-13-6-3-5-12-4-1-2-7-15(12)13/h1-9,18H,10-11H2
InChIKeyFCJXUWKBUPWWOR-UHFFFAOYSA-N
XLogP4.49
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5-bromofuran-2-yl)methyl]-1-naphthalen-1-ylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methyl]-1-naphthalen-1-ylmethanamine?
The IUPAC name of N-[(5-bromofuran-2-yl)methyl]-1-naphthalen-1-ylmethanamine (CID 62369252) is N-[(5-bromofuran-2-yl)methyl]-1-naphthalen-1-ylmethanamine.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methyl]-1-naphthalen-1-ylmethanamine?
The canonical SMILES for N-[(5-bromofuran-2-yl)methyl]-1-naphthalen-1-ylmethanamine is Brc1ccc(CNCc2cccc3ccccc23)o1.
What is the InChIKey of N-[(5-bromofuran-2-yl)methyl]-1-naphthalen-1-ylmethanamine?
The InChIKey is FCJXUWKBUPWWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO/c17-16-9-8-14(19-16)11-18-10-13-6-3-5-12-4-1-2-7-15(12)13/h1-9,18H,10-11H2.
What are the key properties of N-[(5-bromofuran-2-yl)methyl]-1-naphthalen-1-ylmethanamine?
N-[(5-bromofuran-2-yl)methyl]-1-naphthalen-1-ylmethanamine has a molecular weight of 316.20 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)methyl]-1-naphthalen-1-ylmethanamine is sourced from PubChem (CID 62369252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).