5-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol

C16H26ClNO3 — CID 106147203

IUPAC5-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNCC(O)COc1ccccc1Cl
InChIInChI=1S/C16H26ClNO3/c1-16(2,8-5-9-19)12-18-10-13(20)11-21-15-7-4-3-6-14(15)17/h3-4,6-7,13,18-20H,5,8-12H2,1-2H3
InChIKeyPLRBEROPQYQRAH-UHFFFAOYSA-N
MW315.84 g/mol
LogP2.47
Rot. Bonds10

About 5-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol

5-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol (PubChem CID 106147203) has the molecular formula C16H26ClNO3 and a molecular weight of 315.84 g/mol. Its IUPAC name is 5-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol
PubChem CID106147203
Molecular FormulaC16H26ClNO3
Molecular Weight315.84 g/mol
Exact Mass315.16
IUPAC Name5-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNCC(O)COc1ccccc1Cl
InChIInChI=1S/C16H26ClNO3/c1-16(2,8-5-9-19)12-18-10-13(20)11-21-15-7-4-3-6-14(15)17/h3-4,6-7,13,18-20H,5,8-12H2,1-2H3
InChIKeyPLRBEROPQYQRAH-UHFFFAOYSA-N
XLogP2.47
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.84
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol with MolForge

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Related Compounds

1-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-4-methoxy-2-methylbutan-2-ol
CID 106254970
1-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106247148
1-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106147644
5-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-methylpentan-1-ol
CID 106160245
4-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]-3,3-dimethylbutan-1-ol
CID 106146498
1-(2,2-dimethylbutylamino)-3-(2-fluorophenoxy)propan-2-ol
CID 103461242
2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-ethylbutan-1-ol
CID 62517973
5-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]-4,4-dimethylpentan-1-ol
CID 106147082
1-(2-chlorophenoxy)-3-(2-methoxyanilino)propan-2-ol
CID 60898981
(2R)-1-[[3-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]-2,2-dimethylpropyl]amino]-3-phenoxypropan-2-ol
CID 40580003
2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]ethylurea
CID 83121783
1-(2-chlorophenoxy)-3-[[(E)-pent-3-enyl]amino]propan-2-ol
CID 113465593

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol (CID 106147203) is 5-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol is CC(C)(CCCO)CNCC(O)COc1ccccc1Cl.
What is the InChIKey of 5-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol?
The InChIKey is PLRBEROPQYQRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO3/c1-16(2,8-5-9-19)12-18-10-13(20)11-21-15-7-4-3-6-14(15)17/h3-4,6-7,13,18-20H,5,8-12H2,1-2H3.
What are the key properties of 5-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol?
5-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol has a molecular weight of 315.84 g/mol, XLogP of 2.47, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106147203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).