2-[(3-ethoxy-2-methoxyphenyl)methylamino]-2-methylpropan-1-ol

C14H23NO3 — CID 43771181

IUPAC2-[(3-ethoxy-2-methoxyphenyl)methylamino]-2-methylpropan-1-ol
SMILESCCOc1cccc(CNC(C)(C)CO)c1OC
InChIInChI=1S/C14H23NO3/c1-5-18-12-8-6-7-11(13(12)17-4)9-15-14(2,3)10-16/h6-8,15-16H,5,9-10H2,1-4H3
InChIKeyMKCKYRRLQKFNQT-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.95
Rot. Bonds7

About 2-[(3-ethoxy-2-methoxyphenyl)methylamino]-2-methylpropan-1-ol

2-[(3-ethoxy-2-methoxyphenyl)methylamino]-2-methylpropan-1-ol (PubChem CID 43771181) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-[(3-ethoxy-2-methoxyphenyl)methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[(3-ethoxy-2-methoxyphenyl)methylamino]-2-methylpropan-1-ol
PubChem CID43771181
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-[(3-ethoxy-2-methoxyphenyl)methylamino]-2-methylpropan-1-ol
SMILESCCOc1cccc(CNC(C)(C)CO)c1OC
InChIInChI=1S/C14H23NO3/c1-5-18-12-8-6-7-11(13(12)17-4)9-15-14(2,3)10-16/h6-8,15-16H,5,9-10H2,1-4H3
InChIKeyMKCKYRRLQKFNQT-UHFFFAOYSA-N
XLogP1.95
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-ethoxy-2-methoxyphenyl)methylamino]-3-methylbutan-1-ol
CID 115655973
2-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-2-methylpropan-1-ol;hydrochloride
CID 17206072
2-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-2-methylpropan-1-ol
CID 1017286
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methoxyaniline
CID 43757786
N-tert-butyl-2-[2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxyphenoxy]acetamide
CID 17053395
1-N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43221626
N-tert-butyl-2-[(3-ethoxy-2-methoxyphenyl)methylamino]acetamide
CID 115281366
N-tert-butyl-2-[2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxyphenoxy]acetamide;hydrochloride
CID 17053394
1-[2-[(tert-butylamino)methyl]-6-ethoxyphenoxy]propan-2-ol
CID 63057467
N-[(3-ethoxy-2-methoxyphenyl)methyl]-4-iodoaniline
CID 43773219
2-[2-[(3-ethoxy-2-methoxyphenyl)methylamino]ethoxy]ethanol
CID 43220976
3-[(3-ethoxy-2-methoxyphenyl)methylamino]-N,2,2-trimethylpropanamide
CID 103824190

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxy-2-methoxyphenyl)methylamino]-2-methylpropan-1-ol?
The IUPAC name of 2-[(3-ethoxy-2-methoxyphenyl)methylamino]-2-methylpropan-1-ol (CID 43771181) is 2-[(3-ethoxy-2-methoxyphenyl)methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[(3-ethoxy-2-methoxyphenyl)methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[(3-ethoxy-2-methoxyphenyl)methylamino]-2-methylpropan-1-ol is CCOc1cccc(CNC(C)(C)CO)c1OC.
What is the InChIKey of 2-[(3-ethoxy-2-methoxyphenyl)methylamino]-2-methylpropan-1-ol?
The InChIKey is MKCKYRRLQKFNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-5-18-12-8-6-7-11(13(12)17-4)9-15-14(2,3)10-16/h6-8,15-16H,5,9-10H2,1-4H3.
What are the key properties of 2-[(3-ethoxy-2-methoxyphenyl)methylamino]-2-methylpropan-1-ol?
2-[(3-ethoxy-2-methoxyphenyl)methylamino]-2-methylpropan-1-ol has a molecular weight of 253.34 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxy-2-methoxyphenyl)methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 43771181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).