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

2-[1-(1-hydroxybutan-2-ylamino)ethyl]naphthalen-1-ol
CID 43207098
3-[1-(2-ethoxyphenyl)ethylamino]-4-methoxybutan-1-ol
CID 103785533
3-[1-(2,4-difluorophenyl)ethylamino]-4-methoxybutan-1-ol
CID 113261939
4-[1-[(4-hydroxy-1-methoxybutan-2-yl)amino]ethyl]phenol
CID 114151398
4-methoxy-3-(1-pyridin-2-ylethylamino)butan-1-ol
CID 115872140
2-[1-(ethoxyamino)ethyl]naphthalen-1-ol
CID 82709739
2-[1-[ethyl(1-methoxypropan-2-yl)amino]ethyl]naphthalen-1-ol
CID 82958441
2-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]naphthalen-1-ol
CID 81389862
2-[1-(3-ethenoxypropylamino)ethyl]naphthalen-1-ol
CID 43207266
methyl 2-[1-(1-hydroxynaphthalen-2-yl)ethylamino]-2-methylpropanoate
CID 43726068
2-[1-[2-(cyclopropylmethoxy)ethylamino]ethyl]naphthalen-1-ol
CID 104582361
2-[1-[(2,5-dimethylpyrrol-1-yl)amino]ethyl]naphthalen-1-ol
CID 79090793

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).