2-[1-[(4-hydroxy-1-methoxybutan-2-yl)amino]ethyl]naphthalen-1-ol

C17H23NO3 — CID 104582639

IUPAC2-[1-[(4-hydroxy-1-methoxybutan-2-yl)amino]ethyl]naphthalen-1-ol
SMILESCOCC(CCO)NC(C)c1ccc2ccccc2c1O
InChIInChI=1S/C17H23NO3/c1-12(18-14(9-10-19)11-21-2)15-8-7-13-5-3-4-6-16(13)17(15)20/h3-8,12,14,18-20H,9-11H2,1-2H3
InChIKeyXPKLYNIWSRTFPB-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.59
Rot. Bonds7

About 2-[1-[(4-hydroxy-1-methoxybutan-2-yl)amino]ethyl]naphthalen-1-ol

2-[1-[(4-hydroxy-1-methoxybutan-2-yl)amino]ethyl]naphthalen-1-ol (PubChem CID 104582639) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[1-[(4-hydroxy-1-methoxybutan-2-yl)amino]ethyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[1-[(4-hydroxy-1-methoxybutan-2-yl)amino]ethyl]naphthalen-1-ol
PubChem CID104582639
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name2-[1-[(4-hydroxy-1-methoxybutan-2-yl)amino]ethyl]naphthalen-1-ol
SMILESCOCC(CCO)NC(C)c1ccc2ccccc2c1O
InChIInChI=1S/C17H23NO3/c1-12(18-14(9-10-19)11-21-2)15-8-7-13-5-3-4-6-16(13)17(15)20/h3-8,12,14,18-20H,9-11H2,1-2H3
InChIKeyXPKLYNIWSRTFPB-UHFFFAOYSA-N
XLogP2.59
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(Morpholinomethyl)2-naphthol
CID 33839
1-Naphthalenol, 2-(4-morpholinylmethyl)-
CID 382950
3-(1-Hydroxy-2-((4-phenylphenyl)methylamino)ethyl)phenol
CID 2989791
N-[(2-hydroxy-1-naphthyl)(4-isopropylphenyl)methyl]acetamide
CID 3136143
Ethanol, 2-[(2-hydroxy-3-phenylbenzyl)amino]-
CID 223211
3,4-Dimethyl-2-(4-morpholinylmethyl)-6-(1-phenylethyl)phenol
CID 2952730
methyl (2S)-2-[[3-hydroxy-4-[2-hydroxy-3-[[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]methyl]naphthalen-1-yl]naphthalen-2-yl]methylamino]-3-methylbutanoate
CID 24749945
1-[(Cyclohexylmethylamino)methyl]naphthalen-2-ol
CID 43371473
2-(((R)-2-((R)-1-hydroxy-2-(2-methyl-1-(naphthalen-2-yl)propan-2-ylamino)ethyl)pyrrolidin-1-yl)methyl)phenol
CID 44405847
3-[(Cyclohexylamino)methyl]naphthalen-2-ol;hydrochloride
CID 44523412
1-[(Cyclohexylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride
CID 44531318
1,5-Bis[(pentan-3-ylamino)methyl]naphthalene-2,6-diol;hydrochloride
CID 44531436

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-hydroxy-1-methoxybutan-2-yl)amino]ethyl]naphthalen-1-ol?
The IUPAC name of 2-[1-[(4-hydroxy-1-methoxybutan-2-yl)amino]ethyl]naphthalen-1-ol (CID 104582639) is 2-[1-[(4-hydroxy-1-methoxybutan-2-yl)amino]ethyl]naphthalen-1-ol.
What is the SMILES notation for 2-[1-[(4-hydroxy-1-methoxybutan-2-yl)amino]ethyl]naphthalen-1-ol?
The canonical SMILES for 2-[1-[(4-hydroxy-1-methoxybutan-2-yl)amino]ethyl]naphthalen-1-ol is COCC(CCO)NC(C)c1ccc2ccccc2c1O.
What is the InChIKey of 2-[1-[(4-hydroxy-1-methoxybutan-2-yl)amino]ethyl]naphthalen-1-ol?
The InChIKey is XPKLYNIWSRTFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-12(18-14(9-10-19)11-21-2)15-8-7-13-5-3-4-6-16(13)17(15)20/h3-8,12,14,18-20H,9-11H2,1-2H3.
What are the key properties of 2-[1-[(4-hydroxy-1-methoxybutan-2-yl)amino]ethyl]naphthalen-1-ol?
2-[1-[(4-hydroxy-1-methoxybutan-2-yl)amino]ethyl]naphthalen-1-ol has a molecular weight of 289.38 g/mol, XLogP of 2.59, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-hydroxy-1-methoxybutan-2-yl)amino]ethyl]naphthalen-1-ol is sourced from PubChem (CID 104582639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).