1-(3-chlorophenoxy)-3-(oxan-4-ylamino)propan-2-ol

C14H20ClNO3 — CID 54937624

IUPAC1-(3-chlorophenoxy)-3-(oxan-4-ylamino)propan-2-ol
SMILESOC(CNC1CCOCC1)COc1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO3/c15-11-2-1-3-14(8-11)19-10-13(17)9-16-12-4-6-18-7-5-12/h1-3,8,12-13,16-17H,4-7,9-10H2
InChIKeyOWMCVEYVUQPXDD-UHFFFAOYSA-N
MW285.77 g/mol
LogP1.85
Rot. Bonds6

About 1-(3-chlorophenoxy)-3-(oxan-4-ylamino)propan-2-ol

1-(3-chlorophenoxy)-3-(oxan-4-ylamino)propan-2-ol (PubChem CID 54937624) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is 1-(3-chlorophenoxy)-3-(oxan-4-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3-chlorophenoxy)-3-(oxan-4-ylamino)propan-2-ol
PubChem CID54937624
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name1-(3-chlorophenoxy)-3-(oxan-4-ylamino)propan-2-ol
SMILESOC(CNC1CCOCC1)COc1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO3/c15-11-2-1-3-14(8-11)19-10-13(17)9-16-12-4-6-18-7-5-12/h1-3,8,12-13,16-17H,4-7,9-10H2
InChIKeyOWMCVEYVUQPXDD-UHFFFAOYSA-N
XLogP1.85
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenoxy)-3-(oxan-4-ylmethylamino)propan-2-ol
CID 63712910
1-(3-chlorophenoxy)-3-[(4-ethylcyclohexyl)amino]propan-2-ol
CID 60970986
1-(3-chlorophenoxy)-3-[(3-ethylcyclohexyl)amino]propan-2-ol
CID 64741452
(2S)-1-(4-fluorophenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 93386645
1-(2,3-dichlorophenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 111466535
1-(oxan-4-ylamino)-3-(4-phenylphenoxy)propan-2-ol;hydrochloride
CID 122714549
1-(4-methylphenoxy)-3-(oxan-4-ylamino)propan-2-ol;hydrochloride
CID 122714533
1-[(4-chlorophenyl)methoxy]-3-(oxan-4-ylamino)propan-2-ol
CID 60909101
1-(4-chlorophenoxy)-3-(cyclooctylamino)propan-2-ol
CID 60635581
1-[4-[2-hydroxy-3-(oxan-4-ylamino)propoxy]phenyl]ethanone;hydrochloride
CID 122714551
3-[3-(cyclopentylamino)-2-hydroxypropoxy]benzonitrile
CID 60904310
1-[(4-ethylcyclohexyl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 60970383

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenoxy)-3-(oxan-4-ylamino)propan-2-ol?
The IUPAC name of 1-(3-chlorophenoxy)-3-(oxan-4-ylamino)propan-2-ol (CID 54937624) is 1-(3-chlorophenoxy)-3-(oxan-4-ylamino)propan-2-ol.
What is the SMILES notation for 1-(3-chlorophenoxy)-3-(oxan-4-ylamino)propan-2-ol?
The canonical SMILES for 1-(3-chlorophenoxy)-3-(oxan-4-ylamino)propan-2-ol is OC(CNC1CCOCC1)COc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenoxy)-3-(oxan-4-ylamino)propan-2-ol?
The InChIKey is OWMCVEYVUQPXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c15-11-2-1-3-14(8-11)19-10-13(17)9-16-12-4-6-18-7-5-12/h1-3,8,12-13,16-17H,4-7,9-10H2.
What are the key properties of 1-(3-chlorophenoxy)-3-(oxan-4-ylamino)propan-2-ol?
1-(3-chlorophenoxy)-3-(oxan-4-ylamino)propan-2-ol has a molecular weight of 285.77 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenoxy)-3-(oxan-4-ylamino)propan-2-ol is sourced from PubChem (CID 54937624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).