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

C16H25NO2 — CID 116503441

IUPAC1-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-methoxy-2-methylpropan-1-ol
SMILESCOCC(C)C(O)C1(CN)CCCc2ccccc21
InChIInChI=1S/C16H25NO2/c1-12(10-19-2)15(18)16(11-17)9-5-7-13-6-3-4-8-14(13)16/h3-4,6,8,12,15,18H,5,7,9-11,17H2,1-2H3
InChIKeyLQHNBQXTHXFGEH-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.86
Rot. Bonds5

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

1-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-methoxy-2-methylpropan-1-ol (PubChem CID 116503441) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-methoxy-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-methoxy-2-methylpropan-1-ol
PubChem CID116503441
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-methoxy-2-methylpropan-1-ol
SMILESCOCC(C)C(O)C1(CN)CCCc2ccccc21
InChIInChI=1S/C16H25NO2/c1-12(10-19-2)15(18)16(11-17)9-5-7-13-6-3-4-8-14(13)16/h3-4,6,8,12,15,18H,5,7,9-11,17H2,1-2H3
InChIKeyLQHNBQXTHXFGEH-UHFFFAOYSA-N
XLogP1.86
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-methoxy-2-methylpropan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-methoxy-2-methylpropan-1-ol (CID 116503441) is 1-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-methoxy-2-methylpropan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-methoxy-2-methylpropan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-methoxy-2-methylpropan-1-ol is COCC(C)C(O)C1(CN)CCCc2ccccc21.
What is the InChIKey of 1-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-methoxy-2-methylpropan-1-ol?
The InChIKey is LQHNBQXTHXFGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(10-19-2)15(18)16(11-17)9-5-7-13-6-3-4-8-14(13)16/h3-4,6,8,12,15,18H,5,7,9-11,17H2,1-2H3.
What are the key properties of 1-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-methoxy-2-methylpropan-1-ol?
1-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-methoxy-2-methylpropan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-methoxy-2-methylpropan-1-ol is sourced from PubChem (CID 116503441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).