[2-[(2-tert-butyl-1,3-dioxolan-2-yl)methoxy]-4-methoxyphenyl]methanamine

C16H25NO4 — CID 118482018

IUPAC[2-[(2-tert-butyl-1,3-dioxolan-2-yl)methoxy]-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)c(OCC2(C(C)(C)C)OCCO2)c1
InChIInChI=1S/C16H25NO4/c1-15(2,3)16(20-7-8-21-16)11-19-14-9-13(18-4)6-5-12(14)10-17/h5-6,9H,7-8,10-11,17H2,1-4H3
InChIKeyCJQMGXLGGRFJCN-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.32
Rot. Bonds5

About [2-[(2-tert-butyl-1,3-dioxolan-2-yl)methoxy]-4-methoxyphenyl]methanamine

[2-[(2-tert-butyl-1,3-dioxolan-2-yl)methoxy]-4-methoxyphenyl]methanamine (PubChem CID 118482018) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is [2-[(2-tert-butyl-1,3-dioxolan-2-yl)methoxy]-4-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[2-[(2-tert-butyl-1,3-dioxolan-2-yl)methoxy]-4-methoxyphenyl]methanamine
PubChem CID118482018
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name[2-[(2-tert-butyl-1,3-dioxolan-2-yl)methoxy]-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)c(OCC2(C(C)(C)C)OCCO2)c1
InChIInChI=1S/C16H25NO4/c1-15(2,3)16(20-7-8-21-16)11-19-14-9-13(18-4)6-5-12(14)10-17/h5-6,9H,7-8,10-11,17H2,1-4H3
InChIKeyCJQMGXLGGRFJCN-UHFFFAOYSA-N
XLogP2.32
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-(aminomethyl)-5-methoxyphenoxy]methyl]cyclohexan-1-ol
CID 65208427
[2-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanamine
CID 54958135
[4-methoxy-2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]phenyl]methanamine
CID 20985841
[4-methoxy-2-(3-phenoxypropoxy)phenyl]methanamine
CID 62936765
[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methanamine
CID 61268524
[2-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]-4-methoxyphenyl]methanamine
CID 20987975
2-[2-(aminomethyl)-5-methoxyphenoxy]-N-(cyclopropylmethyl)acetamide
CID 61267401
[4-methoxy-2-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]methanamine
CID 22681321
(2,4-dimethoxyphenyl)methanamine;4-methoxyaniline
CID 70411207
[4-methoxy-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanamine
CID 62543773
[2-(1,3-benzodioxol-5-yloxy)-4-methoxyphenyl]methanamine
CID 81298813
ethyl 2-[2-(aminomethyl)-5-methoxyphenoxy]acetate
CID 61267782

Frequently Asked Questions

What is the IUPAC name of [2-[(2-tert-butyl-1,3-dioxolan-2-yl)methoxy]-4-methoxyphenyl]methanamine?
The IUPAC name of [2-[(2-tert-butyl-1,3-dioxolan-2-yl)methoxy]-4-methoxyphenyl]methanamine (CID 118482018) is [2-[(2-tert-butyl-1,3-dioxolan-2-yl)methoxy]-4-methoxyphenyl]methanamine.
What is the SMILES notation for [2-[(2-tert-butyl-1,3-dioxolan-2-yl)methoxy]-4-methoxyphenyl]methanamine?
The canonical SMILES for [2-[(2-tert-butyl-1,3-dioxolan-2-yl)methoxy]-4-methoxyphenyl]methanamine is COc1ccc(CN)c(OCC2(C(C)(C)C)OCCO2)c1.
What is the InChIKey of [2-[(2-tert-butyl-1,3-dioxolan-2-yl)methoxy]-4-methoxyphenyl]methanamine?
The InChIKey is CJQMGXLGGRFJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-15(2,3)16(20-7-8-21-16)11-19-14-9-13(18-4)6-5-12(14)10-17/h5-6,9H,7-8,10-11,17H2,1-4H3.
What are the key properties of [2-[(2-tert-butyl-1,3-dioxolan-2-yl)methoxy]-4-methoxyphenyl]methanamine?
[2-[(2-tert-butyl-1,3-dioxolan-2-yl)methoxy]-4-methoxyphenyl]methanamine has a molecular weight of 295.38 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-tert-butyl-1,3-dioxolan-2-yl)methoxy]-4-methoxyphenyl]methanamine is sourced from PubChem (CID 118482018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).