5-[(4-hydroxyphenyl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol

C17H19NO2 — CID 114331480

IUPAC5-[(4-hydroxyphenyl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESOc1ccc(CNC2CCCc3cc(O)ccc32)cc1
InChIInChI=1S/C17H19NO2/c19-14-6-4-12(5-7-14)11-18-17-3-1-2-13-10-15(20)8-9-16(13)17/h4-10,17-20H,1-3,11H2
InChIKeyMHFOONOVXJTBRM-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.27
Rot. Bonds3

About 5-[(4-hydroxyphenyl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol

5-[(4-hydroxyphenyl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 114331480) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 5-[(4-hydroxyphenyl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name5-[(4-hydroxyphenyl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID114331480
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name5-[(4-hydroxyphenyl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESOc1ccc(CNC2CCCc3cc(O)ccc32)cc1
InChIInChI=1S/C17H19NO2/c19-14-6-4-12(5-7-14)11-18-17-3-1-2-13-10-15(20)8-9-16(13)17/h4-10,17-20H,1-3,11H2
InChIKeyMHFOONOVXJTBRM-UHFFFAOYSA-N
XLogP3.27
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-ethylphenyl)methylamino]-2,3-dihydro-1H-inden-5-ol
CID 107682734
5-[(5-methylfuran-2-yl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 62522817
5-[[1-(hydroxymethyl)cyclohexyl]methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 103965960
1-[(3-methylphenyl)methylamino]-2,3-dihydro-1H-inden-5-ol
CID 107681870
4-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]phenol
CID 43208224
5-[2-[ethyl(methyl)amino]ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 62634516
5-[(4-hydroxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 162650948
2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propane-1,3-diol
CID 65310523
5-[(5-hydroxy-2,2-dimethylpentyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 106144036
N-[2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethyl]cyclopropanecarboxamide
CID 115903598
5-[2-(5-bromothiophen-2-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 103917393
5-[2-[ethyl(propyl)amino]ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 103917623

Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxyphenyl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 5-[(4-hydroxyphenyl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 114331480) is 5-[(4-hydroxyphenyl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 5-[(4-hydroxyphenyl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 5-[(4-hydroxyphenyl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol is Oc1ccc(CNC2CCCc3cc(O)ccc32)cc1.
What is the InChIKey of 5-[(4-hydroxyphenyl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is MHFOONOVXJTBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c19-14-6-4-12(5-7-14)11-18-17-3-1-2-13-10-15(20)8-9-16(13)17/h4-10,17-20H,1-3,11H2.
What are the key properties of 5-[(4-hydroxyphenyl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
5-[(4-hydroxyphenyl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 269.34 g/mol, XLogP of 3.27, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxyphenyl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 114331480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).