(2R)-1-(3,5-dichlorophenoxy)-3-(methylamino)propan-2-ol

C10H13Cl2NO2 — CID 39352654

IUPAC(2R)-1-(3,5-dichlorophenoxy)-3-(methylamino)propan-2-ol
SMILESCNC[C@@H](O)COc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H13Cl2NO2/c1-13-5-9(14)6-15-10-3-7(11)2-8(12)4-10/h2-4,9,13-14H,5-6H2,1H3/t9-/m1/s1
InChIKeyXVUQUTDOVKEXAH-SECBINFHSA-N
MW250.12 g/mol
LogP1.95
Rot. Bonds5

About (2R)-1-(3,5-dichlorophenoxy)-3-(methylamino)propan-2-ol

(2R)-1-(3,5-dichlorophenoxy)-3-(methylamino)propan-2-ol (PubChem CID 39352654) has the molecular formula C10H13Cl2NO2 and a molecular weight of 250.12 g/mol. Its IUPAC name is (2R)-1-(3,5-dichlorophenoxy)-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(3,5-dichlorophenoxy)-3-(methylamino)propan-2-ol
PubChem CID39352654
Molecular FormulaC10H13Cl2NO2
Molecular Weight250.12 g/mol
Exact Mass249.03
IUPAC Name(2R)-1-(3,5-dichlorophenoxy)-3-(methylamino)propan-2-ol
SMILESCNC[C@@H](O)COc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H13Cl2NO2/c1-13-5-9(14)6-15-10-3-7(11)2-8(12)4-10/h2-4,9,13-14H,5-6H2,1H3/t9-/m1/s1
InChIKeyXVUQUTDOVKEXAH-SECBINFHSA-N
XLogP1.95
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.12
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(methylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 1132897
1-(methylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 43188013
1-(4-ethylphenoxy)-3-(methylamino)propan-2-ol
CID 43188012
1-(methylamino)-3-(4-methylsulfanylphenoxy)propan-2-ol
CID 63647814
1-(4-benzylphenoxy)-3-(methylamino)propan-2-ol
CID 62274722
1-(4-bromo-2-propan-2-ylphenoxy)-3-(methylamino)propan-2-ol
CID 115401723
1-[3-chloro-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(pyrimidin-5-ylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol
CID 118883640
(3,5-dichlorophenyl) 2-methyl-3-(methylamino)propanoate
CID 174966426
2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N-methylacetamide
CID 60901406
1-[3-[4-amino-6-(3,6-dihydro-2H-pyran-4-yl)-5-methylpyrimidin-2-yl]-5-chlorophenoxy]-3-(methylamino)propan-2-ol
CID 144708053
1-[3-chloro-5-[4-(piperidin-4-ylamino)-6-pyridin-4-ylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol
CID 118881355
3-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N,2,2-trimethylpropanamide
CID 106277228

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,5-dichlorophenoxy)-3-(methylamino)propan-2-ol?
The IUPAC name of (2R)-1-(3,5-dichlorophenoxy)-3-(methylamino)propan-2-ol (CID 39352654) is (2R)-1-(3,5-dichlorophenoxy)-3-(methylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-(3,5-dichlorophenoxy)-3-(methylamino)propan-2-ol?
The canonical SMILES for (2R)-1-(3,5-dichlorophenoxy)-3-(methylamino)propan-2-ol is CNC[C@@H](O)COc1cc(Cl)cc(Cl)c1.
What is the InChIKey of (2R)-1-(3,5-dichlorophenoxy)-3-(methylamino)propan-2-ol?
The InChIKey is XVUQUTDOVKEXAH-SECBINFHSA-N. The full InChI is InChI=1S/C10H13Cl2NO2/c1-13-5-9(14)6-15-10-3-7(11)2-8(12)4-10/h2-4,9,13-14H,5-6H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-1-(3,5-dichlorophenoxy)-3-(methylamino)propan-2-ol?
(2R)-1-(3,5-dichlorophenoxy)-3-(methylamino)propan-2-ol has a molecular weight of 250.12 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,5-dichlorophenoxy)-3-(methylamino)propan-2-ol is sourced from PubChem (CID 39352654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).