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

C15H22ClNO3 — CID 63712910

IUPAC1-(3-chlorophenoxy)-3-(oxan-4-ylmethylamino)propan-2-ol
SMILESOC(CNCC1CCOCC1)COc1cccc(Cl)c1
InChIInChI=1S/C15H22ClNO3/c16-13-2-1-3-15(8-13)20-11-14(18)10-17-9-12-4-6-19-7-5-12/h1-3,8,12,14,17-18H,4-7,9-11H2
InChIKeyTXBAMJHKJTUGAA-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.10
Rot. Bonds7

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

1-(3-chlorophenoxy)-3-(oxan-4-ylmethylamino)propan-2-ol (PubChem CID 63712910) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is 1-(3-chlorophenoxy)-3-(oxan-4-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3-chlorophenoxy)-3-(oxan-4-ylmethylamino)propan-2-ol
PubChem CID63712910
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Name1-(3-chlorophenoxy)-3-(oxan-4-ylmethylamino)propan-2-ol
SMILESOC(CNCC1CCOCC1)COc1cccc(Cl)c1
InChIInChI=1S/C15H22ClNO3/c16-13-2-1-3-15(8-13)20-11-14(18)10-17-9-12-4-6-19-7-5-12/h1-3,8,12,14,17-18H,4-7,9-11H2
InChIKeyTXBAMJHKJTUGAA-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 54937624
3-[2-hydroxy-3-(oxan-4-ylmethylamino)propoxy]benzonitrile
CID 63711326
1-(but-3-enylamino)-3-(3-chlorophenoxy)propan-2-ol
CID 113465655
1-(3-chlorophenoxy)-3-[(4-ethylcyclohexyl)amino]propan-2-ol
CID 60970986
1-(3-chlorophenoxy)-3-(3-hydroxypropylamino)propan-2-ol
CID 60633820
1-(3-chlorophenoxy)-N-ethyl-3-(oxan-4-yl)propan-2-amine
CID 105138600
1-(3-chlorophenoxy)-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol
CID 104760727
1-(3-chlorophenoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol
CID 60633223
1-(3-chlorophenoxy)-3-[(3-ethylcyclohexyl)amino]propan-2-ol
CID 64741452
1-(4-methylphenoxy)-3-(oxolan-3-ylmethylamino)propan-2-ol
CID 54913976
2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N-methylacetamide
CID 60901406
1-(3-chlorophenoxy)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol
CID 114756333

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenoxy)-3-(oxan-4-ylmethylamino)propan-2-ol?
The IUPAC name of 1-(3-chlorophenoxy)-3-(oxan-4-ylmethylamino)propan-2-ol (CID 63712910) is 1-(3-chlorophenoxy)-3-(oxan-4-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-(3-chlorophenoxy)-3-(oxan-4-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-(3-chlorophenoxy)-3-(oxan-4-ylmethylamino)propan-2-ol is OC(CNCC1CCOCC1)COc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenoxy)-3-(oxan-4-ylmethylamino)propan-2-ol?
The InChIKey is TXBAMJHKJTUGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3/c16-13-2-1-3-15(8-13)20-11-14(18)10-17-9-12-4-6-19-7-5-12/h1-3,8,12,14,17-18H,4-7,9-11H2.
What are the key properties of 1-(3-chlorophenoxy)-3-(oxan-4-ylmethylamino)propan-2-ol?
1-(3-chlorophenoxy)-3-(oxan-4-ylmethylamino)propan-2-ol has a molecular weight of 299.80 g/mol, XLogP of 2.10, 7 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-ylmethylamino)propan-2-ol is sourced from PubChem (CID 63712910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).