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

C20H26ClNO3 — CID 122714549

IUPAC1-(oxan-4-ylamino)-3-(4-phenylphenoxy)propan-2-ol;hydrochloride
SMILESCl.OC(CNC1CCOCC1)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H25NO3.ClH/c22-19(14-21-18-10-12-23-13-11-18)15-24-20-8-6-17(7-9-20)16-4-2-1-3-5-16;/h1-9,18-19,21-22H,10-15H2;1H
InChIKeyOFFILRXVOYXZSD-UHFFFAOYSA-N
MW363.88 g/mol
LogP3.28
Rot. Bonds7

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

1-(oxan-4-ylamino)-3-(4-phenylphenoxy)propan-2-ol;hydrochloride (PubChem CID 122714549) has the molecular formula C20H26ClNO3 and a molecular weight of 363.88 g/mol. Its IUPAC name is 1-(oxan-4-ylamino)-3-(4-phenylphenoxy)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(oxan-4-ylamino)-3-(4-phenylphenoxy)propan-2-ol;hydrochloride
PubChem CID122714549
Molecular FormulaC20H26ClNO3
Molecular Weight363.88 g/mol
Exact Mass363.16
IUPAC Name1-(oxan-4-ylamino)-3-(4-phenylphenoxy)propan-2-ol;hydrochloride
SMILESCl.OC(CNC1CCOCC1)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H25NO3.ClH/c22-19(14-21-18-10-12-23-13-11-18)15-24-20-8-6-17(7-9-20)16-4-2-1-3-5-16;/h1-9,18-19,21-22H,10-15H2;1H
InChIKeyOFFILRXVOYXZSD-UHFFFAOYSA-N
XLogP3.28
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.88
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenoxy)-3-(oxan-4-ylamino)propan-2-ol;hydrochloride
CID 122714533
(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-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 7454139
1-(3-chlorophenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 54937624
1-[2-(4-bromophenoxy)ethoxy]-3-(oxan-4-ylamino)propan-2-ol
CID 122714573
(2R)-1-[[(1S,2R)-2-methylcyclohexyl]amino]-3-(4-phenylphenoxy)propan-2-ol
CID 92520942
1-[(2,2-dimethyloxan-4-yl)amino]-3-phenoxypropan-2-ol
CID 13202185
1-(4-bromophenoxy)-3-(cyclobutylamino)propan-2-ol
CID 55066785
1-(2,3-dichlorophenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 111466535
1-(4-chlorophenoxy)-3-(cyclooctylamino)propan-2-ol
CID 60635581
1-(cyclopentylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 18838017

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-ylamino)-3-(4-phenylphenoxy)propan-2-ol;hydrochloride?
The IUPAC name of 1-(oxan-4-ylamino)-3-(4-phenylphenoxy)propan-2-ol;hydrochloride (CID 122714549) is 1-(oxan-4-ylamino)-3-(4-phenylphenoxy)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(oxan-4-ylamino)-3-(4-phenylphenoxy)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(oxan-4-ylamino)-3-(4-phenylphenoxy)propan-2-ol;hydrochloride is Cl.OC(CNC1CCOCC1)COc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(oxan-4-ylamino)-3-(4-phenylphenoxy)propan-2-ol;hydrochloride?
The InChIKey is OFFILRXVOYXZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3.ClH/c22-19(14-21-18-10-12-23-13-11-18)15-24-20-8-6-17(7-9-20)16-4-2-1-3-5-16;/h1-9,18-19,21-22H,10-15H2;1H.
What are the key properties of 1-(oxan-4-ylamino)-3-(4-phenylphenoxy)propan-2-ol;hydrochloride?
1-(oxan-4-ylamino)-3-(4-phenylphenoxy)propan-2-ol;hydrochloride has a molecular weight of 363.88 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylamino)-3-(4-phenylphenoxy)propan-2-ol;hydrochloride is sourced from PubChem (CID 122714549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).