(1,1-dimethoxyethylamino)-(4-methoxyphenyl)methanol

C12H19NO4 — CID 10377036

IUPAC(1,1-dimethoxyethylamino)-(4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)NC(C)(OC)OC)cc1
InChIInChI=1S/C12H19NO4/c1-12(16-3,17-4)13-11(14)9-5-7-10(15-2)8-6-9/h5-8,11,13-14H,1-4H3
InChIKeyMOKBSBLDCAXXFW-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.24
Rot. Bonds6

About (1,1-dimethoxyethylamino)-(4-methoxyphenyl)methanol

(1,1-dimethoxyethylamino)-(4-methoxyphenyl)methanol (PubChem CID 10377036) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is (1,1-dimethoxyethylamino)-(4-methoxyphenyl)methanol.

Molecular Properties

Compound Name(1,1-dimethoxyethylamino)-(4-methoxyphenyl)methanol
PubChem CID10377036
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name(1,1-dimethoxyethylamino)-(4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)NC(C)(OC)OC)cc1
InChIInChI=1S/C12H19NO4/c1-12(16-3,17-4)13-11(14)9-5-7-10(15-2)8-6-9/h5-8,11,13-14H,1-4H3
InChIKeyMOKBSBLDCAXXFW-UHFFFAOYSA-N
XLogP1.24
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.24
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

2-methoxy-1-(4-methoxyphenyl)-2-methylpropan-1-ol
CID 12658876
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylpropan-2-amine
CID 58628220
3-methoxy-1-(4-methoxyphenyl)-3-methylbutan-1-ol
CID 103027413
CID 175713586
CID 175713586
chloro-(4-methoxyphenyl)methanol
CID 130923369
N-[1-(4-methoxyphenyl)propyl]-2-methylbutan-2-amine
CID 43824465
4-methoxy-1-(4-methoxyphenyl)-4-methylpentan-1-ol
CID 103028229
(4-methoxyphenyl)methanediol;titanium;bis(titanium(3+));dihydrate
CID 139244940
(2S,3R)-3-(4-methoxyphenyl)butan-2-ol
CID 13481815
(2R)-1,1-bis(4-methoxyphenyl)propan-2-ol
CID 91746525
(6-methoxynaphthalen-2-yl)-(methylamino)methanol
CID 116954754
4-[1-(4-methoxyphenyl)propylamino]pentan-2-ol
CID 113376060

Frequently Asked Questions

What is the IUPAC name of (1,1-dimethoxyethylamino)-(4-methoxyphenyl)methanol?
The IUPAC name of (1,1-dimethoxyethylamino)-(4-methoxyphenyl)methanol (CID 10377036) is (1,1-dimethoxyethylamino)-(4-methoxyphenyl)methanol.
What is the SMILES notation for (1,1-dimethoxyethylamino)-(4-methoxyphenyl)methanol?
The canonical SMILES for (1,1-dimethoxyethylamino)-(4-methoxyphenyl)methanol is COc1ccc(C(O)NC(C)(OC)OC)cc1.
What is the InChIKey of (1,1-dimethoxyethylamino)-(4-methoxyphenyl)methanol?
The InChIKey is MOKBSBLDCAXXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-12(16-3,17-4)13-11(14)9-5-7-10(15-2)8-6-9/h5-8,11,13-14H,1-4H3.
What are the key properties of (1,1-dimethoxyethylamino)-(4-methoxyphenyl)methanol?
(1,1-dimethoxyethylamino)-(4-methoxyphenyl)methanol has a molecular weight of 241.29 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dimethoxyethylamino)-(4-methoxyphenyl)methanol is sourced from PubChem (CID 10377036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).