N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethylnaphthalen-1-amine

C18H20N2O — CID 62424402

IUPACN-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethylnaphthalen-1-amine
SMILESCCN(Cc1occc1CN)c1cccc2ccccc12
InChIInChI=1S/C18H20N2O/c1-2-20(13-18-15(12-19)10-11-21-18)17-9-5-7-14-6-3-4-8-16(14)17/h3-11H,2,12-13,19H2,1H3
InChIKeyNOJVRGZASRAIEE-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.92
Rot. Bonds5

About N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethylnaphthalen-1-amine

N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethylnaphthalen-1-amine (PubChem CID 62424402) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethylnaphthalen-1-amine
PubChem CID62424402
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethylnaphthalen-1-amine
SMILESCCN(Cc1occc1CN)c1cccc2ccccc12
InChIInChI=1S/C18H20N2O/c1-2-20(13-18-15(12-19)10-11-21-18)17-9-5-7-14-6-3-4-8-16(14)17/h3-11H,2,12-13,19H2,1H3
InChIKeyNOJVRGZASRAIEE-UHFFFAOYSA-N
XLogP3.92
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethylnaphthalen-1-amine?
The IUPAC name of N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethylnaphthalen-1-amine (CID 62424402) is N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethylnaphthalen-1-amine.
What is the SMILES notation for N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethylnaphthalen-1-amine?
The canonical SMILES for N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethylnaphthalen-1-amine is CCN(Cc1occc1CN)c1cccc2ccccc12.
What is the InChIKey of N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethylnaphthalen-1-amine?
The InChIKey is NOJVRGZASRAIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-2-20(13-18-15(12-19)10-11-21-18)17-9-5-7-14-6-3-4-8-16(14)17/h3-11H,2,12-13,19H2,1H3.
What are the key properties of N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethylnaphthalen-1-amine?
N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethylnaphthalen-1-amine has a molecular weight of 280.37 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethylnaphthalen-1-amine is sourced from PubChem (CID 62424402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).