1-(4-methylphenoxy)-3-(oxan-4-ylamino)propan-2-ol;hydrochloride

C15H24ClNO3 — CID 122714533

IUPAC1-(4-methylphenoxy)-3-(oxan-4-ylamino)propan-2-ol;hydrochloride
SMILESCc1ccc(OCC(O)CNC2CCOCC2)cc1.Cl
InChIInChI=1S/C15H23NO3.ClH/c1-12-2-4-15(5-3-12)19-11-14(17)10-16-13-6-8-18-9-7-13;/h2-5,13-14,16-17H,6-11H2,1H3;1H
InChIKeyPPMHXSCOIROCNQ-UHFFFAOYSA-N
MW301.81 g/mol
LogP1.93
Rot. Bonds6

About 1-(4-methylphenoxy)-3-(oxan-4-ylamino)propan-2-ol;hydrochloride

1-(4-methylphenoxy)-3-(oxan-4-ylamino)propan-2-ol;hydrochloride (PubChem CID 122714533) has the molecular formula C15H24ClNO3 and a molecular weight of 301.81 g/mol. Its IUPAC name is 1-(4-methylphenoxy)-3-(oxan-4-ylamino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(4-methylphenoxy)-3-(oxan-4-ylamino)propan-2-ol;hydrochloride
PubChem CID122714533
Molecular FormulaC15H24ClNO3
Molecular Weight301.81 g/mol
Exact Mass301.14
IUPAC Name1-(4-methylphenoxy)-3-(oxan-4-ylamino)propan-2-ol;hydrochloride
SMILESCc1ccc(OCC(O)CNC2CCOCC2)cc1.Cl
InChIInChI=1S/C15H23NO3.ClH/c1-12-2-4-15(5-3-12)19-11-14(17)10-16-13-6-8-18-9-7-13;/h2-5,13-14,16-17H,6-11H2,1H3;1H
InChIKeyPPMHXSCOIROCNQ-UHFFFAOYSA-N
XLogP1.93
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.81
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(oxan-4-ylamino)-3-(4-phenylphenoxy)propan-2-ol;hydrochloride
CID 122714549
(2S)-1-(4-fluorophenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 93386645
1-[4-[2-hydroxy-3-(oxan-4-ylamino)propoxy]phenyl]ethanone;hydrochloride
CID 122714551
(2R)-1-(2,4-dimethylphenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 39767536
(2S)-1-(2,4-dimethylphenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 39767533
(2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 7454139
1-[(3-methylcyclobutyl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 113467204
1-(4-methylphenoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol
CID 54913976
1-[2-(4-bromophenoxy)ethoxy]-3-(oxan-4-ylamino)propan-2-ol
CID 122714573
1-(3-chlorophenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 54937624
1-[(1,1-dioxothian-3-yl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 63924316
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-(oxan-4-ylamino)propan-2-ol;hydrochloride?
The IUPAC name of 1-(4-methylphenoxy)-3-(oxan-4-ylamino)propan-2-ol;hydrochloride (CID 122714533) is 1-(4-methylphenoxy)-3-(oxan-4-ylamino)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(4-methylphenoxy)-3-(oxan-4-ylamino)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(4-methylphenoxy)-3-(oxan-4-ylamino)propan-2-ol;hydrochloride is Cc1ccc(OCC(O)CNC2CCOCC2)cc1.Cl.
What is the InChIKey of 1-(4-methylphenoxy)-3-(oxan-4-ylamino)propan-2-ol;hydrochloride?
The InChIKey is PPMHXSCOIROCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3.ClH/c1-12-2-4-15(5-3-12)19-11-14(17)10-16-13-6-8-18-9-7-13;/h2-5,13-14,16-17H,6-11H2,1H3;1H.
What are the key properties of 1-(4-methylphenoxy)-3-(oxan-4-ylamino)propan-2-ol;hydrochloride?
1-(4-methylphenoxy)-3-(oxan-4-ylamino)propan-2-ol;hydrochloride has a molecular weight of 301.81 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenoxy)-3-(oxan-4-ylamino)propan-2-ol;hydrochloride is sourced from PubChem (CID 122714533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).