1-[2-ethoxy-6-(ethylaminomethyl)phenoxy]-2-methylpropan-2-ol

C15H25NO3 — CID 60881705

IUPAC1-[2-ethoxy-6-(ethylaminomethyl)phenoxy]-2-methylpropan-2-ol
SMILESCCNCc1cccc(OCC)c1OCC(C)(C)O
InChIInChI=1S/C15H25NO3/c1-5-16-10-12-8-7-9-13(18-6-2)14(12)19-11-15(3,4)17/h7-9,16-17H,5-6,10-11H2,1-4H3
InChIKeyLVRBEIMECDHFGY-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.34
Rot. Bonds8

About 1-[2-ethoxy-6-(ethylaminomethyl)phenoxy]-2-methylpropan-2-ol

1-[2-ethoxy-6-(ethylaminomethyl)phenoxy]-2-methylpropan-2-ol (PubChem CID 60881705) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[2-ethoxy-6-(ethylaminomethyl)phenoxy]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[2-ethoxy-6-(ethylaminomethyl)phenoxy]-2-methylpropan-2-ol
PubChem CID60881705
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-[2-ethoxy-6-(ethylaminomethyl)phenoxy]-2-methylpropan-2-ol
SMILESCCNCc1cccc(OCC)c1OCC(C)(C)O
InChIInChI=1S/C15H25NO3/c1-5-16-10-12-8-7-9-13(18-6-2)14(12)19-11-15(3,4)17/h7-9,16-17H,5-6,10-11H2,1-4H3
InChIKeyLVRBEIMECDHFGY-UHFFFAOYSA-N
XLogP2.34
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,3-diethoxyphenyl)methyl]ethanamine
CID 43278924
2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetonitrile
CID 60882840
2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetic acid
CID 102535781
3-[[2-ethoxy-6-(methylaminomethyl)phenoxy]methyl]pentan-3-ol
CID 114491680
2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetamide
CID 43278938
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17290759
N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]ethanamine;hydrochloride
CID 17206149
3-[2-ethoxy-6-(methylaminomethyl)phenoxy]-2,2-dimethylpropanoic acid
CID 79629790
N-[(2-ethoxy-3-methylphenyl)methyl]ethanamine
CID 97179094
methyl 4-[2-ethoxy-6-(ethylaminomethyl)phenoxy]butanoate
CID 60880960
N-[(3-ethoxy-2-hept-6-enoxyphenyl)methyl]ethanamine
CID 107006070
N-[[3-ethoxy-2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine
CID 43278943

Frequently Asked Questions

What is the IUPAC name of 1-[2-ethoxy-6-(ethylaminomethyl)phenoxy]-2-methylpropan-2-ol?
The IUPAC name of 1-[2-ethoxy-6-(ethylaminomethyl)phenoxy]-2-methylpropan-2-ol (CID 60881705) is 1-[2-ethoxy-6-(ethylaminomethyl)phenoxy]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[2-ethoxy-6-(ethylaminomethyl)phenoxy]-2-methylpropan-2-ol?
The canonical SMILES for 1-[2-ethoxy-6-(ethylaminomethyl)phenoxy]-2-methylpropan-2-ol is CCNCc1cccc(OCC)c1OCC(C)(C)O.
What is the InChIKey of 1-[2-ethoxy-6-(ethylaminomethyl)phenoxy]-2-methylpropan-2-ol?
The InChIKey is LVRBEIMECDHFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-5-16-10-12-8-7-9-13(18-6-2)14(12)19-11-15(3,4)17/h7-9,16-17H,5-6,10-11H2,1-4H3.
What are the key properties of 1-[2-ethoxy-6-(ethylaminomethyl)phenoxy]-2-methylpropan-2-ol?
1-[2-ethoxy-6-(ethylaminomethyl)phenoxy]-2-methylpropan-2-ol has a molecular weight of 267.37 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethoxy-6-(ethylaminomethyl)phenoxy]-2-methylpropan-2-ol is sourced from PubChem (CID 60881705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).