1-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]naphthalen-2-ol

C17H23NO2 — CID 103700917

IUPAC1-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]naphthalen-2-ol
SMILESCC(C)C(CCO)NCc1c(O)ccc2ccccc12
InChIInChI=1S/C17H23NO2/c1-12(2)16(9-10-19)18-11-15-14-6-4-3-5-13(14)7-8-17(15)20/h3-8,12,16,18-20H,9-11H2,1-2H3
InChIKeySRIGMEOJAJWVTM-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.04
Rot. Bonds6

About 1-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]naphthalen-2-ol

1-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]naphthalen-2-ol (PubChem CID 103700917) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]naphthalen-2-ol
PubChem CID103700917
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name1-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]naphthalen-2-ol
SMILESCC(C)C(CCO)NCc1c(O)ccc2ccccc12
InChIInChI=1S/C17H23NO2/c1-12(2)16(9-10-19)18-11-15-14-6-4-3-5-13(14)7-8-17(15)20/h3-8,12,16,18-20H,9-11H2,1-2H3
InChIKeySRIGMEOJAJWVTM-UHFFFAOYSA-N
XLogP3.04
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]naphthalen-2-ol?
The IUPAC name of 1-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]naphthalen-2-ol (CID 103700917) is 1-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]naphthalen-2-ol is CC(C)C(CCO)NCc1c(O)ccc2ccccc12.
What is the InChIKey of 1-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]naphthalen-2-ol?
The InChIKey is SRIGMEOJAJWVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-12(2)16(9-10-19)18-11-15-14-6-4-3-5-13(14)7-8-17(15)20/h3-8,12,16,18-20H,9-11H2,1-2H3.
What are the key properties of 1-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]naphthalen-2-ol?
1-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]naphthalen-2-ol has a molecular weight of 273.38 g/mol, XLogP of 3.04, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]naphthalen-2-ol is sourced from PubChem (CID 103700917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).