N-tert-butyl-2-[[3-(methoxymethyl)phenoxy]methyl]prop-2-en-1-amine

C16H25NO2 — CID 103067274

IUPACN-tert-butyl-2-[[3-(methoxymethyl)phenoxy]methyl]prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)COc1cccc(COC)c1
InChIInChI=1S/C16H25NO2/c1-13(10-17-16(2,3)4)11-19-15-8-6-7-14(9-15)12-18-5/h6-9,17H,1,10-12H2,2-5H3
InChIKeyOFXPBBXLEHAZHZ-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.16
Rot. Bonds7

About N-tert-butyl-2-[[3-(methoxymethyl)phenoxy]methyl]prop-2-en-1-amine

N-tert-butyl-2-[[3-(methoxymethyl)phenoxy]methyl]prop-2-en-1-amine (PubChem CID 103067274) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-tert-butyl-2-[[3-(methoxymethyl)phenoxy]methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[[3-(methoxymethyl)phenoxy]methyl]prop-2-en-1-amine
PubChem CID103067274
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-tert-butyl-2-[[3-(methoxymethyl)phenoxy]methyl]prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)COc1cccc(COC)c1
InChIInChI=1S/C16H25NO2/c1-13(10-17-16(2,3)4)11-19-15-8-6-7-14(9-15)12-18-5/h6-9,17H,1,10-12H2,2-5H3
InChIKeyOFXPBBXLEHAZHZ-UHFFFAOYSA-N
XLogP3.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-2-[(3-methoxyphenoxy)methyl]prop-2-en-1-amine
CID 103066547
N-tert-butyl-2-[(3-ethoxyphenoxy)methyl]prop-2-en-1-amine
CID 103067187
N-tert-butyl-2-[(3-tert-butylphenoxy)methyl]prop-2-en-1-amine
CID 103066892
N-[3-[3-(methoxymethyl)phenoxy]propyl]-2-methylpropan-2-amine
CID 63985963
1-[3-(methoxymethyl)phenoxy]-3,3-dimethylbutan-2-one
CID 63986983
1-[3-(methoxymethyl)phenoxy]-2-methylpropan-2-ol
CID 63985540
2-[(3-ethylphenoxy)methyl]-N-methylprop-2-en-1-amine
CID 103066426
1-(methoxymethoxy)-3-(methoxymethyl)benzene
CID 138736318
N-tert-butyl-2-[(4-chloro-3,5-dimethylphenoxy)methyl]prop-2-en-1-amine
CID 103066935
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 54847698
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255
3-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)propanenitrile
CID 63984047

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[3-(methoxymethyl)phenoxy]methyl]prop-2-en-1-amine?
The IUPAC name of N-tert-butyl-2-[[3-(methoxymethyl)phenoxy]methyl]prop-2-en-1-amine (CID 103067274) is N-tert-butyl-2-[[3-(methoxymethyl)phenoxy]methyl]prop-2-en-1-amine.
What is the SMILES notation for N-tert-butyl-2-[[3-(methoxymethyl)phenoxy]methyl]prop-2-en-1-amine?
The canonical SMILES for N-tert-butyl-2-[[3-(methoxymethyl)phenoxy]methyl]prop-2-en-1-amine is C=C(CNC(C)(C)C)COc1cccc(COC)c1.
What is the InChIKey of N-tert-butyl-2-[[3-(methoxymethyl)phenoxy]methyl]prop-2-en-1-amine?
The InChIKey is OFXPBBXLEHAZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13(10-17-16(2,3)4)11-19-15-8-6-7-14(9-15)12-18-5/h6-9,17H,1,10-12H2,2-5H3.
What are the key properties of N-tert-butyl-2-[[3-(methoxymethyl)phenoxy]methyl]prop-2-en-1-amine?
N-tert-butyl-2-[[3-(methoxymethyl)phenoxy]methyl]prop-2-en-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[3-(methoxymethyl)phenoxy]methyl]prop-2-en-1-amine is sourced from PubChem (CID 103067274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).