4-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]oxan-4-ol

C16H23NO2 — CID 79135402

IUPAC4-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]oxan-4-ol
SMILESNCC1(C2(O)CCOCC2)CCc2ccccc2C1
InChIInChI=1S/C16H23NO2/c17-12-15(16(18)7-9-19-10-8-16)6-5-13-3-1-2-4-14(13)11-15/h1-4,18H,5-12,17H2
InChIKeyJTIDZFZKJPKZQE-UHFFFAOYSA-N
MW261.36 g/mol
LogP1.66
Rot. Bonds2

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

4-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]oxan-4-ol (PubChem CID 79135402) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 4-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]oxan-4-ol.

Molecular Properties

Compound Name4-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]oxan-4-ol
PubChem CID79135402
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name4-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]oxan-4-ol
SMILESNCC1(C2(O)CCOCC2)CCc2ccccc2C1
InChIInChI=1S/C16H23NO2/c17-12-15(16(18)7-9-19-10-8-16)6-5-13-3-1-2-4-14(13)11-15/h1-4,18H,5-12,17H2
InChIKeyJTIDZFZKJPKZQE-UHFFFAOYSA-N
XLogP1.66
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]oxan-4-ol?
The IUPAC name of 4-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]oxan-4-ol (CID 79135402) is 4-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]oxan-4-ol.
What is the SMILES notation for 4-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]oxan-4-ol?
The canonical SMILES for 4-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]oxan-4-ol is NCC1(C2(O)CCOCC2)CCc2ccccc2C1.
What is the InChIKey of 4-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]oxan-4-ol?
The InChIKey is JTIDZFZKJPKZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c17-12-15(16(18)7-9-19-10-8-16)6-5-13-3-1-2-4-14(13)11-15/h1-4,18H,5-12,17H2.
What are the key properties of 4-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]oxan-4-ol?
4-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]oxan-4-ol has a molecular weight of 261.36 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]oxan-4-ol is sourced from PubChem (CID 79135402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).