1-[(4-chlorophenyl)methoxy]-3-(oxan-4-ylamino)propan-2-ol

C15H22ClNO3 — CID 60909101

IUPAC1-[(4-chlorophenyl)methoxy]-3-(oxan-4-ylamino)propan-2-ol
SMILESOC(CNC1CCOCC1)COCc1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNO3/c16-13-3-1-12(2-4-13)10-20-11-15(18)9-17-14-5-7-19-8-6-14/h1-4,14-15,17-18H,5-11H2
InChIKeyQVUPVVZUHYZVLO-UHFFFAOYSA-N
MW299.80 g/mol
LogP1.99
Rot. Bonds7

About 1-[(4-chlorophenyl)methoxy]-3-(oxan-4-ylamino)propan-2-ol

1-[(4-chlorophenyl)methoxy]-3-(oxan-4-ylamino)propan-2-ol (PubChem CID 60909101) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methoxy]-3-(oxan-4-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methoxy]-3-(oxan-4-ylamino)propan-2-ol
PubChem CID60909101
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Name1-[(4-chlorophenyl)methoxy]-3-(oxan-4-ylamino)propan-2-ol
SMILESOC(CNC1CCOCC1)COCc1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNO3/c16-13-3-1-12(2-4-13)10-20-11-15(18)9-17-14-5-7-19-8-6-14/h1-4,14-15,17-18H,5-11H2
InChIKeyQVUPVVZUHYZVLO-UHFFFAOYSA-N
XLogP1.99
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-chlorophenyl)methoxy]-3-(cyclopentylamino)propan-2-ol
CID 60635580
1-[(4-chlorophenyl)methoxy]-3-(oxan-3-ylamino)propan-2-ol
CID 63363760
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
1-(2,3-dichlorophenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 111466535
1-[(4-chlorophenyl)methoxy]-3-[(2,3-dimethyloxolan-3-yl)amino]propan-2-ol
CID 103581402
(2R)-1-(tert-butylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol
CID 7024938
(2S)-1-(4-fluorophenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 93386645
1-[(2-chlorophenyl)methoxy]-3-(cyclopropylamino)propan-2-ol
CID 43090643
1-(4-chlorophenoxy)-3-(cyclooctylamino)propan-2-ol
CID 60635581
1-(4-methylphenoxy)-3-(oxan-4-ylamino)propan-2-ol;hydrochloride
CID 122714533
1-(butan-2-ylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol chloride
CID 53313843

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methoxy]-3-(oxan-4-ylamino)propan-2-ol?
The IUPAC name of 1-[(4-chlorophenyl)methoxy]-3-(oxan-4-ylamino)propan-2-ol (CID 60909101) is 1-[(4-chlorophenyl)methoxy]-3-(oxan-4-ylamino)propan-2-ol.
What is the SMILES notation for 1-[(4-chlorophenyl)methoxy]-3-(oxan-4-ylamino)propan-2-ol?
The canonical SMILES for 1-[(4-chlorophenyl)methoxy]-3-(oxan-4-ylamino)propan-2-ol is OC(CNC1CCOCC1)COCc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methoxy]-3-(oxan-4-ylamino)propan-2-ol?
The InChIKey is QVUPVVZUHYZVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3/c16-13-3-1-12(2-4-13)10-20-11-15(18)9-17-14-5-7-19-8-6-14/h1-4,14-15,17-18H,5-11H2.
What are the key properties of 1-[(4-chlorophenyl)methoxy]-3-(oxan-4-ylamino)propan-2-ol?
1-[(4-chlorophenyl)methoxy]-3-(oxan-4-ylamino)propan-2-ol has a molecular weight of 299.80 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methoxy]-3-(oxan-4-ylamino)propan-2-ol is sourced from PubChem (CID 60909101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).