1-[[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]methyl]cyclopentan-1-ol

C16H25NO3 — CID 65108728

IUPAC1-[[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]methyl]cyclopentan-1-ol
SMILESCOc1ccc(C)cc1C(O)CNCC1(O)CCCC1
InChIInChI=1S/C16H25NO3/c1-12-5-6-15(20-2)13(9-12)14(18)10-17-11-16(19)7-3-4-8-16/h5-6,9,14,17-19H,3-4,7-8,10-11H2,1-2H3
InChIKeyRRARGLPOYHOOAU-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.93
Rot. Bonds6

About 1-[[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]methyl]cyclopentan-1-ol

1-[[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]methyl]cyclopentan-1-ol (PubChem CID 65108728) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]methyl]cyclopentan-1-ol
PubChem CID65108728
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-[[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]methyl]cyclopentan-1-ol
SMILESCOc1ccc(C)cc1C(O)CNCC1(O)CCCC1
InChIInChI=1S/C16H25NO3/c1-12-5-6-15(20-2)13(9-12)14(18)10-17-11-16(19)7-3-4-8-16/h5-6,9,14,17-19H,3-4,7-8,10-11H2,1-2H3
InChIKeyRRARGLPOYHOOAU-UHFFFAOYSA-N
XLogP1.93
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]methyl]cyclopentan-1-ol with MolForge

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Related Compounds

1-(2-methoxy-5-methylphenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol
CID 104760706
1-[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]-2-methylpropan-2-ol
CID 65106127
2-(benzylamino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60896859
2-(tert-butylamino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60901325
1-[(2-methoxy-5-methylphenyl)methyl]cyclopentan-1-ol
CID 62161336
1-(2-methoxy-5-methylphenyl)-2-(2,2,3,3-tetrafluoropropylamino)ethanol
CID 106291344
1-(2-methoxy-5-methylphenyl)-2-(2-phenylethylamino)ethanol
CID 60897173
1-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]cyclopentan-1-ol
CID 65108572
2-(1-hydroxycyclohexyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 111331644
3-hydroxy-3-(2-methoxy-5-methylphenyl)propanoic acid
CID 82366721
(1-ethoxycyclohexyl)-(2-methoxy-5-methylphenyl)methanol
CID 116753700
2-[(1,1-dioxothian-4-yl)amino]-1-(2-methoxy-5-methylphenyl)ethanol
CID 60910310

Frequently Asked Questions

What is the IUPAC name of 1-[[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]methyl]cyclopentan-1-ol (CID 65108728) is 1-[[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]methyl]cyclopentan-1-ol is COc1ccc(C)cc1C(O)CNCC1(O)CCCC1.
What is the InChIKey of 1-[[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]methyl]cyclopentan-1-ol?
The InChIKey is RRARGLPOYHOOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-12-5-6-15(20-2)13(9-12)14(18)10-17-11-16(19)7-3-4-8-16/h5-6,9,14,17-19H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of 1-[[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]methyl]cyclopentan-1-ol?
1-[[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]methyl]cyclopentan-1-ol has a molecular weight of 279.38 g/mol, XLogP of 1.93, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 65108728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).