1-[(4-chlorophenyl)methoxy]-3-[(2,3-dimethyloxolan-3-yl)amino]propan-2-ol

C16H24ClNO3 — CID 103581402

IUPAC1-[(4-chlorophenyl)methoxy]-3-[(2,3-dimethyloxolan-3-yl)amino]propan-2-ol
SMILESCC1OCCC1(C)NCC(O)COCc1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO3/c1-12-16(2,7-8-21-12)18-9-15(19)11-20-10-13-3-5-14(17)6-4-13/h3-6,12,15,18-19H,7-11H2,1-2H3
InChIKeyXUGSCXJLSKDKTE-UHFFFAOYSA-N
MW313.82 g/mol
LogP2.37
Rot. Bonds7

About 1-[(4-chlorophenyl)methoxy]-3-[(2,3-dimethyloxolan-3-yl)amino]propan-2-ol

1-[(4-chlorophenyl)methoxy]-3-[(2,3-dimethyloxolan-3-yl)amino]propan-2-ol (PubChem CID 103581402) has the molecular formula C16H24ClNO3 and a molecular weight of 313.82 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methoxy]-3-[(2,3-dimethyloxolan-3-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methoxy]-3-[(2,3-dimethyloxolan-3-yl)amino]propan-2-ol
PubChem CID103581402
Molecular FormulaC16H24ClNO3
Molecular Weight313.82 g/mol
Exact Mass313.14
IUPAC Name1-[(4-chlorophenyl)methoxy]-3-[(2,3-dimethyloxolan-3-yl)amino]propan-2-ol
SMILESCC1OCCC1(C)NCC(O)COCc1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO3/c1-12-16(2,7-8-21-12)18-9-15(19)11-20-10-13-3-5-14(17)6-4-13/h3-6,12,15,18-19H,7-11H2,1-2H3
InChIKeyXUGSCXJLSKDKTE-UHFFFAOYSA-N
XLogP2.37
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.82
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(4-chlorophenyl)methoxy]-3-[(2,3-dimethyloxolan-3-yl)amino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2,3-dimethyloxolan-3-yl)amino]-3-phenylmethoxypropan-2-ol
CID 103581260
1-(2,4-dichlorophenoxy)-3-[(2,3-dimethyloxolan-3-yl)amino]propan-2-ol
CID 103581273
1-[(4-chlorophenyl)methoxy]-3-(oxan-4-ylamino)propan-2-ol
CID 60909101
1-[(2,3-dimethyloxolan-3-yl)amino]-3-(2-ethylhexoxy)propan-2-ol
CID 103581424
(2R)-1-(tert-butylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol
CID 7024938
1-[(4-chlorophenyl)methoxy]-3-(cyclopentylamino)propan-2-ol
CID 60635580
1-[(4-chlorophenyl)methoxy]-3-(oxan-3-ylamino)propan-2-ol
CID 63363760
[4-[[(2,3-dimethyloxolan-3-yl)amino]methyl]phenyl]methanol
CID 103581420
1-[(4-chlorophenyl)methoxy]-3-(2,2,2-trifluoroethoxyamino)propan-2-ol
CID 82721875
1-(butan-2-ylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol chloride
CID 53313843
1-[(4-chlorophenyl)methoxy]-3-(2-methylanilino)propan-2-ol
CID 60900159
(2S)-1-[(4-chlorophenyl)methoxy]-3-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]propan-2-ol
CID 95332227

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methoxy]-3-[(2,3-dimethyloxolan-3-yl)amino]propan-2-ol?
The IUPAC name of 1-[(4-chlorophenyl)methoxy]-3-[(2,3-dimethyloxolan-3-yl)amino]propan-2-ol (CID 103581402) is 1-[(4-chlorophenyl)methoxy]-3-[(2,3-dimethyloxolan-3-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[(4-chlorophenyl)methoxy]-3-[(2,3-dimethyloxolan-3-yl)amino]propan-2-ol?
The canonical SMILES for 1-[(4-chlorophenyl)methoxy]-3-[(2,3-dimethyloxolan-3-yl)amino]propan-2-ol is CC1OCCC1(C)NCC(O)COCc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methoxy]-3-[(2,3-dimethyloxolan-3-yl)amino]propan-2-ol?
The InChIKey is XUGSCXJLSKDKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO3/c1-12-16(2,7-8-21-12)18-9-15(19)11-20-10-13-3-5-14(17)6-4-13/h3-6,12,15,18-19H,7-11H2,1-2H3.
What are the key properties of 1-[(4-chlorophenyl)methoxy]-3-[(2,3-dimethyloxolan-3-yl)amino]propan-2-ol?
1-[(4-chlorophenyl)methoxy]-3-[(2,3-dimethyloxolan-3-yl)amino]propan-2-ol has a molecular weight of 313.82 g/mol, XLogP of 2.37, 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-[(2,3-dimethyloxolan-3-yl)amino]propan-2-ol is sourced from PubChem (CID 103581402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).