1-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol

C15H25ClN2O3 — CID 106147644

IUPAC1-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCN(C)CC(C)(O)CNCC(O)COc1ccccc1Cl
InChIInChI=1S/C15H25ClN2O3/c1-15(20,11-18(2)3)10-17-8-12(19)9-21-14-7-5-4-6-13(14)16/h4-7,12,17,19-20H,8-11H2,1-3H3
InChIKeySRLJZYBCEIPZBZ-UHFFFAOYSA-N
MW316.83 g/mol
LogP0.98
Rot. Bonds9

About 1-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol

1-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol (PubChem CID 106147644) has the molecular formula C15H25ClN2O3 and a molecular weight of 316.83 g/mol. Its IUPAC name is 1-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol
PubChem CID106147644
Molecular FormulaC15H25ClN2O3
Molecular Weight316.83 g/mol
Exact Mass316.16
IUPAC Name1-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCN(C)CC(C)(O)CNCC(O)COc1ccccc1Cl
InChIInChI=1S/C15H25ClN2O3/c1-15(20,11-18(2)3)10-17-8-12(19)9-21-14-7-5-4-6-13(14)16/h4-7,12,17,19-20H,8-11H2,1-3H3
InChIKeySRLJZYBCEIPZBZ-UHFFFAOYSA-N
XLogP0.98
TPSA64.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106247148
1-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-4-methoxy-2-methylbutan-2-ol
CID 106254970
5-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-4,4-dimethylpentan-1-ol
CID 106147203
(2S)-1-(2-chlorophenoxy)-3-(dimethylamino)propan-2-ol
CID 40540867
3-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropane-1,2-diol
CID 66185309
2-(2-chlorophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide
CID 103839802
1-(dimethylamino)-3-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]-2-methylpropan-2-ol
CID 114150038
1-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106247232
1-(2-chlorophenoxy)-3-(2-methoxyanilino)propan-2-ol
CID 60898981
1-(2-chlorophenoxy)-3-[[(E)-pent-3-enyl]amino]propan-2-ol
CID 113465593
5-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-methylpentan-1-ol
CID 106160245
2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-ethylbutan-1-ol
CID 62517973

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol (CID 106147644) is 1-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol is CN(C)CC(C)(O)CNCC(O)COc1ccccc1Cl.
What is the InChIKey of 1-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol?
The InChIKey is SRLJZYBCEIPZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O3/c1-15(20,11-18(2)3)10-17-8-12(19)9-21-14-7-5-4-6-13(14)16/h4-7,12,17,19-20H,8-11H2,1-3H3.
What are the key properties of 1-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol?
1-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol has a molecular weight of 316.83 g/mol, XLogP of 0.98, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 106147644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).