2-amino-3-(dimethylamino)-3-(2-methoxy-4,6-dimethylphenyl)propan-1-ol

C14H24N2O2 — CID 116911605

IUPAC2-amino-3-(dimethylamino)-3-(2-methoxy-4,6-dimethylphenyl)propan-1-ol
SMILESCOc1cc(C)cc(C)c1C(C(N)CO)N(C)C
InChIInChI=1S/C14H24N2O2/c1-9-6-10(2)13(12(7-9)18-5)14(16(3)4)11(15)8-17/h6-7,11,14,17H,8,15H2,1-5H3
InChIKeyPWPMUPBWNADOER-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.23
Rot. Bonds5

About 2-amino-3-(dimethylamino)-3-(2-methoxy-4,6-dimethylphenyl)propan-1-ol

2-amino-3-(dimethylamino)-3-(2-methoxy-4,6-dimethylphenyl)propan-1-ol (PubChem CID 116911605) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-amino-3-(dimethylamino)-3-(2-methoxy-4,6-dimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(dimethylamino)-3-(2-methoxy-4,6-dimethylphenyl)propan-1-ol
PubChem CID116911605
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-amino-3-(dimethylamino)-3-(2-methoxy-4,6-dimethylphenyl)propan-1-ol
SMILESCOc1cc(C)cc(C)c1C(C(N)CO)N(C)C
InChIInChI=1S/C14H24N2O2/c1-9-6-10(2)13(12(7-9)18-5)14(16(3)4)11(15)8-17/h6-7,11,14,17H,8,15H2,1-5H3
InChIKeyPWPMUPBWNADOER-UHFFFAOYSA-N
XLogP1.23
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(2-methoxy-4,6-dimethylphenyl)ethanol
CID 77129779
2-amino-3-(dimethylamino)-3-(2-methoxy-3,4,6-trimethylphenyl)propan-1-ol
CID 116911647
2-[amino-(2-methoxy-4,6-dimethylphenyl)methyl]-3-methylbutan-1-ol
CID 116945650
ethyl 2-amino-2-(2-methoxy-4,6-dimethylphenyl)acetate
CID 3904081
2-(dimethylamino)-2-(2-methoxy-4,6-dimethylphenyl)acetic acid
CID 82476708
2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-N,2-N-dimethylbutane-1,2-diamine
CID 106680723
3-(dimethylamino)-3-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-ol
CID 83939317
2-N,2-N-diethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropane-1,2-diamine
CID 106680712
3-amino-3-(2-methoxy-4,6-dimethylphenyl)propanenitrile
CID 116851261
1-(2-methoxy-4,6-dimethylphenyl)-2-propan-2-ylsulfanylethanamine
CID 106680616
2-(3,5-dimethylphenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanol
CID 106680174
N'-cyclopropyl-1-(2-methoxy-4,6-dimethylphenyl)ethane-1,2-diamine
CID 116935221

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(dimethylamino)-3-(2-methoxy-4,6-dimethylphenyl)propan-1-ol?
The IUPAC name of 2-amino-3-(dimethylamino)-3-(2-methoxy-4,6-dimethylphenyl)propan-1-ol (CID 116911605) is 2-amino-3-(dimethylamino)-3-(2-methoxy-4,6-dimethylphenyl)propan-1-ol.
What is the SMILES notation for 2-amino-3-(dimethylamino)-3-(2-methoxy-4,6-dimethylphenyl)propan-1-ol?
The canonical SMILES for 2-amino-3-(dimethylamino)-3-(2-methoxy-4,6-dimethylphenyl)propan-1-ol is COc1cc(C)cc(C)c1C(C(N)CO)N(C)C.
What is the InChIKey of 2-amino-3-(dimethylamino)-3-(2-methoxy-4,6-dimethylphenyl)propan-1-ol?
The InChIKey is PWPMUPBWNADOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-9-6-10(2)13(12(7-9)18-5)14(16(3)4)11(15)8-17/h6-7,11,14,17H,8,15H2,1-5H3.
What are the key properties of 2-amino-3-(dimethylamino)-3-(2-methoxy-4,6-dimethylphenyl)propan-1-ol?
2-amino-3-(dimethylamino)-3-(2-methoxy-4,6-dimethylphenyl)propan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(dimethylamino)-3-(2-methoxy-4,6-dimethylphenyl)propan-1-ol is sourced from PubChem (CID 116911605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).