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

C15H22ClNO3 — CID 63363760

IUPAC1-[(4-chlorophenyl)methoxy]-3-(oxan-3-ylamino)propan-2-ol
SMILESOC(CNC1CCCOC1)COCc1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNO3/c16-13-5-3-12(4-6-13)9-20-11-15(18)8-17-14-2-1-7-19-10-14/h3-6,14-15,17-18H,1-2,7-11H2
InChIKeyPFPSCVHQOBJYDQ-UHFFFAOYSA-N
MW299.80 g/mol
LogP1.99
Rot. Bonds7

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

1-[(4-chlorophenyl)methoxy]-3-(oxan-3-ylamino)propan-2-ol (PubChem CID 63363760) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methoxy]-3-(oxan-3-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methoxy]-3-(oxan-3-ylamino)propan-2-ol
PubChem CID63363760
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Name1-[(4-chlorophenyl)methoxy]-3-(oxan-3-ylamino)propan-2-ol
SMILESOC(CNC1CCCOC1)COCc1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNO3/c16-13-5-3-12(4-6-13)9-20-11-15(18)8-17-14-2-1-7-19-10-14/h3-6,14-15,17-18H,1-2,7-11H2
InChIKeyPFPSCVHQOBJYDQ-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-4-ylamino)propan-2-ol
CID 60909101
1-(4-ethylphenoxy)-3-(oxan-3-ylamino)propan-2-ol
CID 63363406
1-(2-methoxyphenoxy)-3-(oxan-3-ylamino)propan-2-ol
CID 63364012
2-[2-hydroxy-3-(oxan-3-ylamino)propoxy]benzonitrile
CID 63363298
1-(4-chlorophenoxy)-3-(cyclooctylamino)propan-2-ol
CID 60635581
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
2-chloro-4-[(oxan-3-ylamino)methyl]phenol
CID 63363487
1-(oxan-3-ylamino)pentan-2-ol
CID 115719380
N-[(5-chloro-2-pyridinyl)methyl]oxan-3-amine
CID 115906683
4,4-dimethyl-1-(oxan-3-ylamino)pentan-2-ol
CID 115721192

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methoxy]-3-(oxan-3-ylamino)propan-2-ol?
The IUPAC name of 1-[(4-chlorophenyl)methoxy]-3-(oxan-3-ylamino)propan-2-ol (CID 63363760) is 1-[(4-chlorophenyl)methoxy]-3-(oxan-3-ylamino)propan-2-ol.
What is the SMILES notation for 1-[(4-chlorophenyl)methoxy]-3-(oxan-3-ylamino)propan-2-ol?
The canonical SMILES for 1-[(4-chlorophenyl)methoxy]-3-(oxan-3-ylamino)propan-2-ol is OC(CNC1CCCOC1)COCc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methoxy]-3-(oxan-3-ylamino)propan-2-ol?
The InChIKey is PFPSCVHQOBJYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3/c16-13-5-3-12(4-6-13)9-20-11-15(18)8-17-14-2-1-7-19-10-14/h3-6,14-15,17-18H,1-2,7-11H2.
What are the key properties of 1-[(4-chlorophenyl)methoxy]-3-(oxan-3-ylamino)propan-2-ol?
1-[(4-chlorophenyl)methoxy]-3-(oxan-3-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-3-ylamino)propan-2-ol is sourced from PubChem (CID 63363760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).