1-(4-methylphenoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol

C15H23NO3 — CID 54913976

IUPAC1-(4-methylphenoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol
SMILESCc1ccc(OCC(O)CNCC2CCOC2)cc1
InChIInChI=1S/C15H23NO3/c1-12-2-4-15(5-3-12)19-11-14(17)9-16-8-13-6-7-18-10-13/h2-5,13-14,16-17H,6-11H2,1H3
InChIKeyKFUJMXYYUYLODN-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.36
Rot. Bonds7

About 1-(4-methylphenoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol

1-(4-methylphenoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol (PubChem CID 54913976) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-(4-methylphenoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-methylphenoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol
PubChem CID54913976
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-(4-methylphenoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol
SMILESCc1ccc(OCC(O)CNCC2CCOC2)cc1
InChIInChI=1S/C15H23NO3/c1-12-2-4-15(5-3-12)19-11-14(17)9-16-8-13-6-7-18-10-13/h2-5,13-14,16-17H,6-11H2,1H3
InChIKeyKFUJMXYYUYLODN-UHFFFAOYSA-N
XLogP1.36
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylphenoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol
CID 61039219
1-(4-methylphenoxy)-3-(oxan-4-ylamino)propan-2-ol;hydrochloride
CID 122714533
1-(4-methylphenyl)-N'-(oxolan-3-ylmethyl)ethane-1,2-diamine
CID 114172171
1-(3-chlorophenoxy)-3-(oxan-4-ylmethylamino)propan-2-ol
CID 63712910
3-[2-hydroxy-3-(oxan-4-ylmethylamino)propoxy]benzonitrile
CID 63711326
1-[4-[2-hydroxy-3-[(4-methylphenyl)methylamino]propoxy]phenoxy]-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 19133404
N-[(4-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 43196113
4-[(2S)-2-hydroxy-3-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methylamino]propoxy]phenol
CID 70001951
1-(1-cyclopropylethylamino)-3-(4-methylphenoxy)propan-2-ol
CID 54938847
3-[[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]methyl]-2-methyloxolan-3-ol
CID 106101190
1-methoxy-3-(oxan-4-ylmethylamino)propan-2-ol
CID 63930500
1-[(2-methylcyclopropyl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 62397928

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol?
The IUPAC name of 1-(4-methylphenoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol (CID 54913976) is 1-(4-methylphenoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-(4-methylphenoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-(4-methylphenoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol is Cc1ccc(OCC(O)CNCC2CCOC2)cc1.
What is the InChIKey of 1-(4-methylphenoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol?
The InChIKey is KFUJMXYYUYLODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-12-2-4-15(5-3-12)19-11-14(17)9-16-8-13-6-7-18-10-13/h2-5,13-14,16-17H,6-11H2,1H3.
What are the key properties of 1-(4-methylphenoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol?
1-(4-methylphenoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol has a molecular weight of 265.35 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol is sourced from PubChem (CID 54913976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).