5-[[1-(hydroxymethyl)cyclohexyl]methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol

C18H27NO2 — CID 103965960

IUPAC5-[[1-(hydroxymethyl)cyclohexyl]methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESOCC1(CNC2CCCc3cc(O)ccc32)CCCCC1
InChIInChI=1S/C18H27NO2/c20-13-18(9-2-1-3-10-18)12-19-17-6-4-5-14-11-15(21)7-8-16(14)17/h7-8,11,17,19-21H,1-6,9-10,12-13H2
InChIKeyHGXWTTDJQRQIDO-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.30
Rot. Bonds4

About 5-[[1-(hydroxymethyl)cyclohexyl]methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol

5-[[1-(hydroxymethyl)cyclohexyl]methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 103965960) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 5-[[1-(hydroxymethyl)cyclohexyl]methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name5-[[1-(hydroxymethyl)cyclohexyl]methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID103965960
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name5-[[1-(hydroxymethyl)cyclohexyl]methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESOCC1(CNC2CCCc3cc(O)ccc32)CCCCC1
InChIInChI=1S/C18H27NO2/c20-13-18(9-2-1-3-10-18)12-19-17-6-4-5-14-11-15(21)7-8-16(14)17/h7-8,11,17,19-21H,1-6,9-10,12-13H2
InChIKeyHGXWTTDJQRQIDO-UHFFFAOYSA-N
XLogP3.30
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-[[1-(hydroxymethyl)cyclohexyl]methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol with MolForge

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Related Compounds

[1-[[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]methyl]cyclohexyl]methanol
CID 115892903
5-[(4-hydroxyphenyl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 114331480
5-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 115358998
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
2-[3-[[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]oxolan-3-yl]ethanol
CID 75483141
[1-[(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)methyl]cyclopropyl]methanol
CID 81343397
5-[2-[ethyl(methyl)amino]ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 62634516
N-[2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethyl]cyclopropanecarboxamide
CID 115903598
1-[(1,4-dimethylpiperidin-4-yl)methylamino]-2,3-dihydro-1H-inden-5-ol
CID 107682738
5-[(5-methylfuran-2-yl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 62522817
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-[[1-(hydroxymethyl)cyclohexyl]methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 5-[[1-(hydroxymethyl)cyclohexyl]methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 103965960) is 5-[[1-(hydroxymethyl)cyclohexyl]methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 5-[[1-(hydroxymethyl)cyclohexyl]methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 5-[[1-(hydroxymethyl)cyclohexyl]methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol is OCC1(CNC2CCCc3cc(O)ccc32)CCCCC1.
What is the InChIKey of 5-[[1-(hydroxymethyl)cyclohexyl]methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is HGXWTTDJQRQIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c20-13-18(9-2-1-3-10-18)12-19-17-6-4-5-14-11-15(21)7-8-16(14)17/h7-8,11,17,19-21H,1-6,9-10,12-13H2.
What are the key properties of 5-[[1-(hydroxymethyl)cyclohexyl]methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol?
5-[[1-(hydroxymethyl)cyclohexyl]methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 289.42 g/mol, XLogP of 3.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(hydroxymethyl)cyclohexyl]methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 103965960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).