1-(3-methoxyphenyl)-2-[(2-methylcyclopropyl)amino]ethanol

C13H19NO2 — CID 81133622

IUPAC1-(3-methoxyphenyl)-2-[(2-methylcyclopropyl)amino]ethanol
SMILESCOc1cccc(C(O)CNC2CC2C)c1
InChIInChI=1S/C13H19NO2/c1-9-6-12(9)14-8-13(15)10-4-3-5-11(7-10)16-2/h3-5,7,9,12-15H,6,8H2,1-2H3
InChIKeyLSWQYSJZTRFHGL-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.73
Rot. Bonds5

About 1-(3-methoxyphenyl)-2-[(2-methylcyclopropyl)amino]ethanol

1-(3-methoxyphenyl)-2-[(2-methylcyclopropyl)amino]ethanol (PubChem CID 81133622) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-[(2-methylcyclopropyl)amino]ethanol.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-[(2-methylcyclopropyl)amino]ethanol
PubChem CID81133622
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-(3-methoxyphenyl)-2-[(2-methylcyclopropyl)amino]ethanol
SMILESCOc1cccc(C(O)CNC2CC2C)c1
InChIInChI=1S/C13H19NO2/c1-9-6-12(9)14-8-13(15)10-4-3-5-11(7-10)16-2/h3-5,7,9,12-15H,6,8H2,1-2H3
InChIKeyLSWQYSJZTRFHGL-UHFFFAOYSA-N
XLogP1.73
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]cyclobutan-1-ol
CID 81134353
1-(3-methoxyphenyl)-2-[(2-propan-2-ylcyclohexyl)amino]ethanol
CID 81338115
2-(cyclopent-3-en-1-ylamino)-1-(3-methoxyphenyl)ethanol
CID 113475226
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3,5-dimethylcyclohexane-1-carboxamide
CID 110020967
methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
CID 110663358
4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]cyclohexane-1-carboxamide
CID 81134804
1-(3-methoxyphenyl)-2-(propylamino)ethanol
CID 15006474
1-(3-methoxyphenyl)-2-(2-methylprop-2-enylamino)ethanol
CID 114616947
1-(cyclopropylmethyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111115133
2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-1-(3-methoxyphenyl)ethanol
CID 81134310
3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol
CID 78967042
1-(3-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 78966811

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-[(2-methylcyclopropyl)amino]ethanol?
The IUPAC name of 1-(3-methoxyphenyl)-2-[(2-methylcyclopropyl)amino]ethanol (CID 81133622) is 1-(3-methoxyphenyl)-2-[(2-methylcyclopropyl)amino]ethanol.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-[(2-methylcyclopropyl)amino]ethanol?
The canonical SMILES for 1-(3-methoxyphenyl)-2-[(2-methylcyclopropyl)amino]ethanol is COc1cccc(C(O)CNC2CC2C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-[(2-methylcyclopropyl)amino]ethanol?
The InChIKey is LSWQYSJZTRFHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-6-12(9)14-8-13(15)10-4-3-5-11(7-10)16-2/h3-5,7,9,12-15H,6,8H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-2-[(2-methylcyclopropyl)amino]ethanol?
1-(3-methoxyphenyl)-2-[(2-methylcyclopropyl)amino]ethanol has a molecular weight of 221.30 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-[(2-methylcyclopropyl)amino]ethanol is sourced from PubChem (CID 81133622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).