1-[methyl(oxan-2-ylmethyl)amino]-3-(3-methylphenoxy)propan-2-ol

C17H27NO3 — CID 110902606

IUPAC1-[methyl(oxan-2-ylmethyl)amino]-3-(3-methylphenoxy)propan-2-ol
SMILESCc1cccc(OCC(O)CN(C)CC2CCCCO2)c1
InChIInChI=1S/C17H27NO3/c1-14-6-5-8-16(10-14)21-13-15(19)11-18(2)12-17-7-3-4-9-20-17/h5-6,8,10,15,17,19H,3-4,7,9,11-13H2,1-2H3
InChIKeyKUPAQBANPFKJEI-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.24
Rot. Bonds7

About 1-[methyl(oxan-2-ylmethyl)amino]-3-(3-methylphenoxy)propan-2-ol

1-[methyl(oxan-2-ylmethyl)amino]-3-(3-methylphenoxy)propan-2-ol (PubChem CID 110902606) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[methyl(oxan-2-ylmethyl)amino]-3-(3-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[methyl(oxan-2-ylmethyl)amino]-3-(3-methylphenoxy)propan-2-ol
PubChem CID110902606
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name1-[methyl(oxan-2-ylmethyl)amino]-3-(3-methylphenoxy)propan-2-ol
SMILESCc1cccc(OCC(O)CN(C)CC2CCCCO2)c1
InChIInChI=1S/C17H27NO3/c1-14-6-5-8-16(10-14)21-13-15(19)11-18(2)12-17-7-3-4-9-20-17/h5-6,8,10,15,17,19H,3-4,7,9,11-13H2,1-2H3
InChIKeyKUPAQBANPFKJEI-UHFFFAOYSA-N
XLogP2.24
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[(3-methylphenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-3-phenoxypropan-2-ol
CID 93163081
1-(3-methylphenoxy)-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol
CID 61039860
N-cyclopropyl-2-[[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]acetamide
CID 26005258
(2R)-4-cyclopentyl-1-(3-methylphenoxy)butan-2-ol
CID 161303338
1-(3-methylphenoxy)-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 3490148
(2R)-1-[(2-methylphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-phenoxypropan-2-ol
CID 129428443
1-(4-chlorophenoxy)-3-[(2,4-dimethylphenyl)methyl-(oxolan-2-ylmethyl)amino]propan-2-ol
CID 42682313
1-(3-methylphenoxy)-3-[methyl(2-phenylethyl)amino]propan-2-ol
CID 117068437
(2R)-1-(3-methylphenoxy)-3-[methyl(2-phenylethyl)amino]propan-2-ol
CID 94391448
1-(3-bromophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanol
CID 110902060
3-[3-[cyclopropylmethyl(methyl)amino]-2-hydroxypropoxy]benzonitrile
CID 54884113
2-[[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]-N-propan-2-ylacetamide
CID 32531014

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(oxan-2-ylmethyl)amino]-3-(3-methylphenoxy)propan-2-ol?
The IUPAC name of 1-[methyl(oxan-2-ylmethyl)amino]-3-(3-methylphenoxy)propan-2-ol (CID 110902606) is 1-[methyl(oxan-2-ylmethyl)amino]-3-(3-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[methyl(oxan-2-ylmethyl)amino]-3-(3-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-[methyl(oxan-2-ylmethyl)amino]-3-(3-methylphenoxy)propan-2-ol is Cc1cccc(OCC(O)CN(C)CC2CCCCO2)c1.
What is the InChIKey of 1-[methyl(oxan-2-ylmethyl)amino]-3-(3-methylphenoxy)propan-2-ol?
The InChIKey is KUPAQBANPFKJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-14-6-5-8-16(10-14)21-13-15(19)11-18(2)12-17-7-3-4-9-20-17/h5-6,8,10,15,17,19H,3-4,7,9,11-13H2,1-2H3.
What are the key properties of 1-[methyl(oxan-2-ylmethyl)amino]-3-(3-methylphenoxy)propan-2-ol?
1-[methyl(oxan-2-ylmethyl)amino]-3-(3-methylphenoxy)propan-2-ol has a molecular weight of 293.41 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(oxan-2-ylmethyl)amino]-3-(3-methylphenoxy)propan-2-ol is sourced from PubChem (CID 110902606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).