1-(3-methoxyphenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol

C17H27NO3 — CID 60632231

IUPAC1-(3-methoxyphenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol
SMILESCOc1cccc(OCC(O)CNC2CCCCC2C)c1
InChIInChI=1S/C17H27NO3/c1-13-6-3-4-9-17(13)18-11-14(19)12-21-16-8-5-7-15(10-16)20-2/h5,7-8,10,13-14,17-19H,3-4,6,9,11-12H2,1-2H3
InChIKeyMOSFLBVRJZNBLK-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.60
Rot. Bonds7

About 1-(3-methoxyphenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol

1-(3-methoxyphenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol (PubChem CID 60632231) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-(3-methoxyphenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(3-methoxyphenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol
PubChem CID60632231
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name1-(3-methoxyphenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol
SMILESCOc1cccc(OCC(O)CNC2CCCCC2C)c1
InChIInChI=1S/C17H27NO3/c1-13-6-3-4-9-17(13)18-11-14(19)12-21-16-8-5-7-15(10-16)20-2/h5,7-8,10,13-14,17-19H,3-4,6,9,11-12H2,1-2H3
InChIKeyMOSFLBVRJZNBLK-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[[(1S,2R)-2-methylcyclohexyl]amino]-3-(4-phenylphenoxy)propan-2-ol
CID 92520942
1-(2,6-dimethylphenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol
CID 60632624
1-(4-bromophenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol
CID 60632582
1-(3,5-dimethylphenoxy)-3-[(2-methylcyclopentyl)amino]propan-2-ol
CID 63278408
1-[4-[4-[2-hydroxy-3-[(2-methylcyclohexyl)amino]propoxy]phenyl]sulfonylphenoxy]-3-[(2-methylcyclohexyl)amino]propan-2-ol
CID 19133379
1-cyclohexyl-3-[(2S)-2-hydroxy-3-(3-methoxyphenoxy)propyl]urea
CID 126437318
1-(3-methoxyphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol;hydrochloride
CID 2770246
1-[(2-methoxycyclopentyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 62088573
1-(3-methoxyphenoxy)-3-(oxolan-2-ylmethylamino)propan-2-ol
CID 60633751
1-(2,2-difluoroethylamino)-3-(3-methoxyphenoxy)propan-2-ol
CID 115406734
2-ethyl-2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]butan-1-ol
CID 62518668
N-cyclopentyl-4-[4-[[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]piperidin-1-yl]benzamide
CID 42480876

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol?
The IUPAC name of 1-(3-methoxyphenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol (CID 60632231) is 1-(3-methoxyphenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol.
What is the SMILES notation for 1-(3-methoxyphenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol?
The canonical SMILES for 1-(3-methoxyphenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol is COc1cccc(OCC(O)CNC2CCCCC2C)c1.
What is the InChIKey of 1-(3-methoxyphenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol?
The InChIKey is MOSFLBVRJZNBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-13-6-3-4-9-17(13)18-11-14(19)12-21-16-8-5-7-15(10-16)20-2/h5,7-8,10,13-14,17-19H,3-4,6,9,11-12H2,1-2H3.
What are the key properties of 1-(3-methoxyphenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol?
1-(3-methoxyphenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol has a molecular weight of 293.41 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol is sourced from PubChem (CID 60632231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).