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

C16H25NO2 — CID 103067187

IUPACN-tert-butyl-2-[(3-ethoxyphenoxy)methyl]prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)COc1cccc(OCC)c1
InChIInChI=1S/C16H25NO2/c1-6-18-14-8-7-9-15(10-14)19-12-13(2)11-17-16(3,4)5/h7-10,17H,2,6,11-12H2,1,3-5H3
InChIKeyXFFYXRQJGOOZAB-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.41
Rot. Bonds7

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

N-tert-butyl-2-[(3-ethoxyphenoxy)methyl]prop-2-en-1-amine (PubChem CID 103067187) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-tert-butyl-2-[(3-ethoxyphenoxy)methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[(3-ethoxyphenoxy)methyl]prop-2-en-1-amine
PubChem CID103067187
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-tert-butyl-2-[(3-ethoxyphenoxy)methyl]prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)COc1cccc(OCC)c1
InChIInChI=1S/C16H25NO2/c1-6-18-14-8-7-9-15(10-14)19-12-13(2)11-17-16(3,4)5/h7-10,17H,2,6,11-12H2,1,3-5H3
InChIKeyXFFYXRQJGOOZAB-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-tert-butyl-2-[(3-ethoxyphenoxy)methyl]prop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-2-[(3-methoxyphenoxy)methyl]prop-2-en-1-amine
CID 103066547
N-tert-butyl-2-[(3-tert-butylphenoxy)methyl]prop-2-en-1-amine
CID 103066892
N-tert-butyl-2-[[3-(methoxymethyl)phenoxy]methyl]prop-2-en-1-amine
CID 103067274
N-tert-butyl-3-(3-ethoxyphenoxy)-2,2-dimethylpropan-1-amine
CID 79621302
N-tert-butyl-2-[(4-chloro-3,5-dimethylphenoxy)methyl]prop-2-en-1-amine
CID 103066935
N-ethyl-2-[(3-methoxyphenoxy)methyl]prop-2-en-1-amine
CID 103066550
2-(tert-butylamino)-N-[(3-ethoxyphenyl)methyl]acetamide
CID 112730361
2-[(3-ethylphenoxy)methyl]-N-methylprop-2-en-1-amine
CID 103066426
N'-tert-butyl-N-(3-ethoxyphenyl)ethane-1,2-diamine
CID 54807112
N-tert-butyl-2-[[2-(trifluoromethyl)phenoxy]methyl]prop-2-en-1-amine
CID 103066757
2-(tert-butylamino)-1-(3-ethoxyphenyl)ethanol
CID 62772976
N-tert-butyl-3-ethoxyaniline
CID 58745523

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(3-ethoxyphenoxy)methyl]prop-2-en-1-amine?
The IUPAC name of N-tert-butyl-2-[(3-ethoxyphenoxy)methyl]prop-2-en-1-amine (CID 103067187) is N-tert-butyl-2-[(3-ethoxyphenoxy)methyl]prop-2-en-1-amine.
What is the SMILES notation for N-tert-butyl-2-[(3-ethoxyphenoxy)methyl]prop-2-en-1-amine?
The canonical SMILES for N-tert-butyl-2-[(3-ethoxyphenoxy)methyl]prop-2-en-1-amine is C=C(CNC(C)(C)C)COc1cccc(OCC)c1.
What is the InChIKey of N-tert-butyl-2-[(3-ethoxyphenoxy)methyl]prop-2-en-1-amine?
The InChIKey is XFFYXRQJGOOZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-6-18-14-8-7-9-15(10-14)19-12-13(2)11-17-16(3,4)5/h7-10,17H,2,6,11-12H2,1,3-5H3.
What are the key properties of N-tert-butyl-2-[(3-ethoxyphenoxy)methyl]prop-2-en-1-amine?
N-tert-butyl-2-[(3-ethoxyphenoxy)methyl]prop-2-en-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.41, 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-ethoxyphenoxy)methyl]prop-2-en-1-amine is sourced from PubChem (CID 103067187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).