N-[[3-(4-chloronaphthalen-1-yl)furan-2-yl]methyl]ethanamine

C17H16ClNO — CID 106888958

IUPACN-[[3-(4-chloronaphthalen-1-yl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1occc1-c1ccc(Cl)c2ccccc12
InChIInChI=1S/C17H16ClNO/c1-2-19-11-17-15(9-10-20-17)13-7-8-16(18)14-6-4-3-5-12(13)14/h3-10,19H,2,11H2,1H3
InChIKeyDJMLNPDHLZRRNI-UHFFFAOYSA-N
MW285.77 g/mol
LogP4.86
Rot. Bonds4

About N-[[3-(4-chloronaphthalen-1-yl)furan-2-yl]methyl]ethanamine

N-[[3-(4-chloronaphthalen-1-yl)furan-2-yl]methyl]ethanamine (PubChem CID 106888958) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is N-[[3-(4-chloronaphthalen-1-yl)furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(4-chloronaphthalen-1-yl)furan-2-yl]methyl]ethanamine
PubChem CID106888958
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC NameN-[[3-(4-chloronaphthalen-1-yl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1occc1-c1ccc(Cl)c2ccccc12
InChIInChI=1S/C17H16ClNO/c1-2-19-11-17-15(9-10-20-17)13-7-8-16(18)14-6-4-3-5-12(13)14/h3-10,19H,2,11H2,1H3
InChIKeyDJMLNPDHLZRRNI-UHFFFAOYSA-N
XLogP4.86
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-chloronaphthalen-1-yl)furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[3-(4-chloronaphthalen-1-yl)furan-2-yl]methyl]ethanamine (CID 106888958) is N-[[3-(4-chloronaphthalen-1-yl)furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(4-chloronaphthalen-1-yl)furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-(4-chloronaphthalen-1-yl)furan-2-yl]methyl]ethanamine is CCNCc1occc1-c1ccc(Cl)c2ccccc12.
What is the InChIKey of N-[[3-(4-chloronaphthalen-1-yl)furan-2-yl]methyl]ethanamine?
The InChIKey is DJMLNPDHLZRRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO/c1-2-19-11-17-15(9-10-20-17)13-7-8-16(18)14-6-4-3-5-12(13)14/h3-10,19H,2,11H2,1H3.
What are the key properties of N-[[3-(4-chloronaphthalen-1-yl)furan-2-yl]methyl]ethanamine?
N-[[3-(4-chloronaphthalen-1-yl)furan-2-yl]methyl]ethanamine has a molecular weight of 285.77 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-chloronaphthalen-1-yl)furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 106888958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).