2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-1-(3-methoxyphenyl)ethanol

C17H27NO3 — CID 81134310

IUPAC2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CNC2(CO)CCC(C)CC2)c1
InChIInChI=1S/C17H27NO3/c1-13-6-8-17(12-19,9-7-13)18-11-16(20)14-4-3-5-15(10-14)21-2/h3-5,10,13,16,18-20H,6-9,11-12H2,1-2H3
InChIKeyDPYCZTNNYJFRCB-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.26
Rot. Bonds6

About 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-1-(3-methoxyphenyl)ethanol

2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-1-(3-methoxyphenyl)ethanol (PubChem CID 81134310) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-1-(3-methoxyphenyl)ethanol
PubChem CID81134310
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CNC2(CO)CCC(C)CC2)c1
InChIInChI=1S/C17H27NO3/c1-13-6-8-17(12-19,9-7-13)18-11-16(20)14-4-3-5-15(10-14)21-2/h3-5,10,13,16,18-20H,6-9,11-12H2,1-2H3
InChIKeyDPYCZTNNYJFRCB-UHFFFAOYSA-N
XLogP2.26
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-difluorophenyl)-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]ethanol
CID 62552347
1-(3-methoxyphenyl)-2-[(1-methylcyclohexyl)amino]ethanol
CID 81133448
[4-methyl-1-(2-phenylpropylamino)cyclohexyl]methanol
CID 62527967
4-[1-hydroxy-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]ethyl]benzonitrile
CID 62551133
1-(3-methoxyphenyl)-2-[(2-methylcyclopropyl)amino]ethanol
CID 81133622
2-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]-4-methoxyphenol
CID 62526041
2-(cyclopent-3-en-1-ylamino)-1-(3-methoxyphenyl)ethanol
CID 113475226
2-[(2-hydroxy-1-phenylethyl)amino]-1-(3-methoxyphenyl)ethanol
CID 81134314
1-amino-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 119765478
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3,5-dimethylcyclohexane-1-carboxamide
CID 110020967
1-(3-methoxyphenyl)-2-(2-methylprop-2-enylamino)ethanol
CID 114616947
3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]cyclobutan-1-ol
CID 81134353

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-1-(3-methoxyphenyl)ethanol (CID 81134310) is 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-1-(3-methoxyphenyl)ethanol is COc1cccc(C(O)CNC2(CO)CCC(C)CC2)c1.
What is the InChIKey of 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-1-(3-methoxyphenyl)ethanol?
The InChIKey is DPYCZTNNYJFRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-13-6-8-17(12-19,9-7-13)18-11-16(20)14-4-3-5-15(10-14)21-2/h3-5,10,13,16,18-20H,6-9,11-12H2,1-2H3.
What are the key properties of 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-1-(3-methoxyphenyl)ethanol?
2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-1-(3-methoxyphenyl)ethanol has a molecular weight of 293.41 g/mol, XLogP of 2.26, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 81134310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).