[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(furan-2-yl)methanol

C16H19NO2 — CID 79134701

IUPAC[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(furan-2-yl)methanol
SMILESNCC1(C(O)c2ccco2)CCCc2ccccc21
InChIInChI=1S/C16H19NO2/c17-11-16(15(18)14-8-4-10-19-14)9-3-6-12-5-1-2-7-13(12)16/h1-2,4-5,7-8,10,15,18H,3,6,9,11,17H2
InChIKeyBBDVLCJQGVGBKM-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.55
Rot. Bonds3

About [1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(furan-2-yl)methanol

[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(furan-2-yl)methanol (PubChem CID 79134701) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is [1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(furan-2-yl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(furan-2-yl)methanol
PubChem CID79134701
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(furan-2-yl)methanol
SMILESNCC1(C(O)c2ccco2)CCCc2ccccc21
InChIInChI=1S/C16H19NO2/c17-11-16(15(18)14-8-4-10-19-14)9-3-6-12-5-1-2-7-13(12)16/h1-2,4-5,7-8,10,15,18H,3,6,9,11,17H2
InChIKeyBBDVLCJQGVGBKM-UHFFFAOYSA-N
XLogP2.55
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(furan-2-yl)methanol?
The IUPAC name of [1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(furan-2-yl)methanol (CID 79134701) is [1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(furan-2-yl)methanol.
What is the SMILES notation for [1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(furan-2-yl)methanol?
The canonical SMILES for [1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(furan-2-yl)methanol is NCC1(C(O)c2ccco2)CCCc2ccccc21.
What is the InChIKey of [1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(furan-2-yl)methanol?
The InChIKey is BBDVLCJQGVGBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c17-11-16(15(18)14-8-4-10-19-14)9-3-6-12-5-1-2-7-13(12)16/h1-2,4-5,7-8,10,15,18H,3,6,9,11,17H2.
What are the key properties of [1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(furan-2-yl)methanol?
[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(furan-2-yl)methanol has a molecular weight of 257.33 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(furan-2-yl)methanol is sourced from PubChem (CID 79134701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).