1-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol

C13H19Cl2NO2 — CID 60889829

IUPAC1-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol
SMILESCC(O)COc1c(Cl)cc(Cl)cc1CNC(C)C
InChIInChI=1S/C13H19Cl2NO2/c1-8(2)16-6-10-4-11(14)5-12(15)13(10)18-7-9(3)17/h4-5,8-9,16-17H,6-7H2,1-3H3
InChIKeyBETVIAXQUBAMKF-UHFFFAOYSA-N
MW292.21 g/mol
LogP3.25
Rot. Bonds6

About 1-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol

1-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol (PubChem CID 60889829) has the molecular formula C13H19Cl2NO2 and a molecular weight of 292.21 g/mol. Its IUPAC name is 1-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol
PubChem CID60889829
Molecular FormulaC13H19Cl2NO2
Molecular Weight292.21 g/mol
Exact Mass291.08
IUPAC Name1-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol
SMILESCC(O)COc1c(Cl)cc(Cl)cc1CNC(C)C
InChIInChI=1S/C13H19Cl2NO2/c1-8(2)16-6-10-4-11(14)5-12(15)13(10)18-7-9(3)17/h4-5,8-9,16-17H,6-7H2,1-3H3
InChIKeyBETVIAXQUBAMKF-UHFFFAOYSA-N
XLogP3.25
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol with MolForge

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Related Compounds

3-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]-1,1,1-trifluoropropan-2-ol
CID 63902462
1-[2,4-dichloro-6-(hydroxymethyl)phenoxy]propan-2-ol
CID 60884982
N-[[3,5-dichloro-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine
CID 60887324
N-[(3,5-dichloro-2-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 43515840
N-[(2-but-2-ynoxy-3,5-dichlorophenyl)methyl]propan-2-amine
CID 55057886
N-[[3,5-dichloro-2-(cyclopentylmethoxy)phenyl]methyl]propan-2-amine
CID 63499376
N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 17156494
N-[[3,5-dichloro-2-(4,4,4-trifluorobutoxy)phenyl]methyl]propan-2-amine
CID 115513158
N-cyclopropyl-2-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 43515834
N-[(3,5-dichloro-2-pentan-2-yloxyphenyl)methyl]propan-2-amine
CID 107890855
N-[[2-[(4-bromothiophen-2-yl)methoxy]-3,5-dichlorophenyl]methyl]propan-2-amine
CID 63499377
N-[[3,5-dichloro-2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 43515830

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol?
The IUPAC name of 1-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol (CID 60889829) is 1-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol?
The canonical SMILES for 1-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol is CC(O)COc1c(Cl)cc(Cl)cc1CNC(C)C.
What is the InChIKey of 1-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol?
The InChIKey is BETVIAXQUBAMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO2/c1-8(2)16-6-10-4-11(14)5-12(15)13(10)18-7-9(3)17/h4-5,8-9,16-17H,6-7H2,1-3H3.
What are the key properties of 1-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol?
1-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol has a molecular weight of 292.21 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol is sourced from PubChem (CID 60889829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).