amino-[(1R,2R)-1-(2,5-dichlorophenyl)-1-(methoxymethoxy)propan-2-yl]oxymethanol

C12H17Cl2NO4 — CID 163943329

IUPACamino-[(1R,2R)-1-(2,5-dichlorophenyl)-1-(methoxymethoxy)propan-2-yl]oxymethanol
SMILESCOCO[C@H](c1cc(Cl)ccc1Cl)[C@@H](C)OC(N)O
InChIInChI=1S/C12H17Cl2NO4/c1-7(19-12(15)16)11(18-6-17-2)9-5-8(13)3-4-10(9)14/h3-5,7,11-12,16H,6,15H2,1-2H3/t7-,11+,12?/m1/s1
InChIKeyRSYFSDGGUDQJBP-VDJVUWEHSA-N
MW310.18 g/mol
LogP2.29
Rot. Bonds7

About amino-[(1R,2R)-1-(2,5-dichlorophenyl)-1-(methoxymethoxy)propan-2-yl]oxymethanol

amino-[(1R,2R)-1-(2,5-dichlorophenyl)-1-(methoxymethoxy)propan-2-yl]oxymethanol (PubChem CID 163943329) has the molecular formula C12H17Cl2NO4 and a molecular weight of 310.18 g/mol. Its IUPAC name is amino-[(1R,2R)-1-(2,5-dichlorophenyl)-1-(methoxymethoxy)propan-2-yl]oxymethanol.

Molecular Properties

Compound Nameamino-[(1R,2R)-1-(2,5-dichlorophenyl)-1-(methoxymethoxy)propan-2-yl]oxymethanol
PubChem CID163943329
Molecular FormulaC12H17Cl2NO4
Molecular Weight310.18 g/mol
Exact Mass309.05
IUPAC Nameamino-[(1R,2R)-1-(2,5-dichlorophenyl)-1-(methoxymethoxy)propan-2-yl]oxymethanol
SMILESCOCO[C@H](c1cc(Cl)ccc1Cl)[C@@H](C)OC(N)O
InChIInChI=1S/C12H17Cl2NO4/c1-7(19-12(15)16)11(18-6-17-2)9-5-8(13)3-4-10(9)14/h3-5,7,11-12,16H,6,15H2,1-2H3/t7-,11+,12?/m1/s1
InChIKeyRSYFSDGGUDQJBP-VDJVUWEHSA-N
XLogP2.29
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-dichlorophenyl)-2-methoxypropan-1-ol
CID 79615936
(1S,2S)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-ol
CID 137375754
1-(2,5-dichlorophenyl)-3-methoxypropan-1-amine
CID 62790378
(1R,2R)-1-(3,4-dichlorophenyl)-1-(methoxymethoxy)propan-2-ol
CID 137375691
1-(2,5-dichlorophenyl)-2-propan-2-yloxyethanamine
CID 105013246
1-(2,5-dichlorophenyl)-2-methoxy-3-methylbutan-1-amine
CID 116719639
2-amino-1-(2,5-dichlorophenyl)ethanol
CID 18628108
2-amino-N-[1-(2,5-dichlorophenyl)ethyl]-3-methoxypropanamide
CID 120985367
methyl 2-amino-2-(2,5-dichlorophenyl)acetate;hydrochloride
CID 162344729
1-(2,5-dichlorophenyl)-2-(1-methoxypropan-2-ylamino)ethanol
CID 60897086
(1S,2R)-1-amino-1-(2,5-dichlorophenyl)-5-methylhexan-2-ol;hydrochloride
CID 171267558
(1S)-1-(2,5-dichlorophenyl)propan-1-amine
CID 26342063

Frequently Asked Questions

What is the IUPAC name of amino-[(1R,2R)-1-(2,5-dichlorophenyl)-1-(methoxymethoxy)propan-2-yl]oxymethanol?
The IUPAC name of amino-[(1R,2R)-1-(2,5-dichlorophenyl)-1-(methoxymethoxy)propan-2-yl]oxymethanol (CID 163943329) is amino-[(1R,2R)-1-(2,5-dichlorophenyl)-1-(methoxymethoxy)propan-2-yl]oxymethanol.
What is the SMILES notation for amino-[(1R,2R)-1-(2,5-dichlorophenyl)-1-(methoxymethoxy)propan-2-yl]oxymethanol?
The canonical SMILES for amino-[(1R,2R)-1-(2,5-dichlorophenyl)-1-(methoxymethoxy)propan-2-yl]oxymethanol is COCO[C@H](c1cc(Cl)ccc1Cl)[C@@H](C)OC(N)O.
What is the InChIKey of amino-[(1R,2R)-1-(2,5-dichlorophenyl)-1-(methoxymethoxy)propan-2-yl]oxymethanol?
The InChIKey is RSYFSDGGUDQJBP-VDJVUWEHSA-N. The full InChI is InChI=1S/C12H17Cl2NO4/c1-7(19-12(15)16)11(18-6-17-2)9-5-8(13)3-4-10(9)14/h3-5,7,11-12,16H,6,15H2,1-2H3/t7-,11+,12?/m1/s1.
What are the key properties of amino-[(1R,2R)-1-(2,5-dichlorophenyl)-1-(methoxymethoxy)propan-2-yl]oxymethanol?
amino-[(1R,2R)-1-(2,5-dichlorophenyl)-1-(methoxymethoxy)propan-2-yl]oxymethanol has a molecular weight of 310.18 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[(1R,2R)-1-(2,5-dichlorophenyl)-1-(methoxymethoxy)propan-2-yl]oxymethanol is sourced from PubChem (CID 163943329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).