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

C16H23NO2 — CID 79138453

IUPAC[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(oxolan-3-yl)methanol
SMILESNCC1(C(O)C2CCOC2)CCCc2ccccc21
InChIInChI=1S/C16H23NO2/c17-11-16(15(18)13-7-9-19-10-13)8-3-5-12-4-1-2-6-14(12)16/h1-2,4,6,13,15,18H,3,5,7-11,17H2
InChIKeyTWUYYPKRPLVUAU-UHFFFAOYSA-N
MW261.36 g/mol
LogP1.62
Rot. Bonds3

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

[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(oxolan-3-yl)methanol (PubChem CID 79138453) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is [1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(oxolan-3-yl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(oxolan-3-yl)methanol
PubChem CID79138453
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(oxolan-3-yl)methanol
SMILESNCC1(C(O)C2CCOC2)CCCc2ccccc21
InChIInChI=1S/C16H23NO2/c17-11-16(15(18)13-7-9-19-10-13)8-3-5-12-4-1-2-6-14(12)16/h1-2,4,6,13,15,18H,3,5,7-11,17H2
InChIKeyTWUYYPKRPLVUAU-UHFFFAOYSA-N
XLogP1.62
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(oxolan-2-yl)methanol
CID 82837035
1-[hydroxy(oxolan-3-yl)methyl]-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 79136549
1-[hydroxy(oxolan-3-yl)methyl]-2,3-dihydroindene-1-carbonitrile
CID 79136458
[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(furan-2-yl)methanol
CID 79134701
2-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-2-hydroxyacetaldehyde
CID 79125434
[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(2-methylphenyl)methanol
CID 79123653
oxolan-3-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methanol
CID 65412556
oxolan-3-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanol
CID 63562647
1-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-methoxy-2-methylpropan-1-ol
CID 116503441
[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(1-methylpyrazol-4-yl)methanol
CID 79135632
(1-cyclopropyl-3,4-dihydro-2H-naphthalen-1-yl)methanamine
CID 104819342
2,3-dihydro-1H-inden-2-yl(oxolan-3-yl)methanamine
CID 65411493

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(oxolan-3-yl)methanol?
The IUPAC name of [1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(oxolan-3-yl)methanol (CID 79138453) is [1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(oxolan-3-yl)methanol.
What is the SMILES notation for [1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(oxolan-3-yl)methanol?
The canonical SMILES for [1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(oxolan-3-yl)methanol is NCC1(C(O)C2CCOC2)CCCc2ccccc21.
What is the InChIKey of [1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(oxolan-3-yl)methanol?
The InChIKey is TWUYYPKRPLVUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c17-11-16(15(18)13-7-9-19-10-13)8-3-5-12-4-1-2-6-14(12)16/h1-2,4,6,13,15,18H,3,5,7-11,17H2.
What are the key properties of [1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(oxolan-3-yl)methanol?
[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(oxolan-3-yl)methanol has a molecular weight of 261.36 g/mol, XLogP of 1.62, 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]-(oxolan-3-yl)methanol is sourced from PubChem (CID 79138453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).