2-[2-methoxy-4-[[(4-methylcyclohexyl)amino]methyl]phenoxy]ethanol

C17H27NO3 — CID 111466387

IUPAC2-[2-methoxy-4-[[(4-methylcyclohexyl)amino]methyl]phenoxy]ethanol
SMILESCOc1cc(CNC2CCC(C)CC2)ccc1OCCO
InChIInChI=1S/C17H27NO3/c1-13-3-6-15(7-4-13)18-12-14-5-8-16(21-10-9-19)17(11-14)20-2/h5,8,11,13,15,18-19H,3-4,6-7,9-10,12H2,1-2H3
InChIKeyHRDGBBMWUPHNLT-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.73
Rot. Bonds7

About 2-[2-methoxy-4-[[(4-methylcyclohexyl)amino]methyl]phenoxy]ethanol

2-[2-methoxy-4-[[(4-methylcyclohexyl)amino]methyl]phenoxy]ethanol (PubChem CID 111466387) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[2-methoxy-4-[[(4-methylcyclohexyl)amino]methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-methoxy-4-[[(4-methylcyclohexyl)amino]methyl]phenoxy]ethanol
PubChem CID111466387
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name2-[2-methoxy-4-[[(4-methylcyclohexyl)amino]methyl]phenoxy]ethanol
SMILESCOc1cc(CNC2CCC(C)CC2)ccc1OCCO
InChIInChI=1S/C17H27NO3/c1-13-3-6-15(7-4-13)18-12-14-5-8-16(21-10-9-19)17(11-14)20-2/h5,8,11,13,15,18-19H,3-4,6-7,9-10,12H2,1-2H3
InChIKeyHRDGBBMWUPHNLT-UHFFFAOYSA-N
XLogP2.73
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-methoxy-4-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 104646908
N-[(4-butoxy-3-methoxyphenyl)methyl]-3-methylcyclohexan-1-amine
CID 54848890
methyl 2-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]acetate
CID 60881875
1-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-2-methylpropan-2-ol
CID 60881124
N-[[4-(cyclopentylmethoxy)-3-methoxyphenyl]methyl]cyclopropanamine
CID 61344979
N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]cyclopropanamine
CID 60881685
N-[[3-[3-(dimethylamino)propoxy]-4-methoxyphenyl]methyl]cyclopropanamine
CID 114524710
4-N-[(4-ethoxy-3-methoxyphenyl)methyl]cyclohexane-1,4-diamine
CID 62314200
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43275383
4-[(4-ethoxy-3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509717
N-[[3-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]cyclopropanamine
CID 43560119
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]cycloheptanamine
CID 4721038

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[[(4-methylcyclohexyl)amino]methyl]phenoxy]ethanol?
The IUPAC name of 2-[2-methoxy-4-[[(4-methylcyclohexyl)amino]methyl]phenoxy]ethanol (CID 111466387) is 2-[2-methoxy-4-[[(4-methylcyclohexyl)amino]methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[2-methoxy-4-[[(4-methylcyclohexyl)amino]methyl]phenoxy]ethanol?
The canonical SMILES for 2-[2-methoxy-4-[[(4-methylcyclohexyl)amino]methyl]phenoxy]ethanol is COc1cc(CNC2CCC(C)CC2)ccc1OCCO.
What is the InChIKey of 2-[2-methoxy-4-[[(4-methylcyclohexyl)amino]methyl]phenoxy]ethanol?
The InChIKey is HRDGBBMWUPHNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-13-3-6-15(7-4-13)18-12-14-5-8-16(21-10-9-19)17(11-14)20-2/h5,8,11,13,15,18-19H,3-4,6-7,9-10,12H2,1-2H3.
What are the key properties of 2-[2-methoxy-4-[[(4-methylcyclohexyl)amino]methyl]phenoxy]ethanol?
2-[2-methoxy-4-[[(4-methylcyclohexyl)amino]methyl]phenoxy]ethanol has a molecular weight of 293.41 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[[(4-methylcyclohexyl)amino]methyl]phenoxy]ethanol is sourced from PubChem (CID 111466387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).