N-[(2-ethoxyphenyl)methyl]-N-ethyl-2-methylprop-2-en-1-amine

C15H23NO — CID 112796331

IUPACN-[(2-ethoxyphenyl)methyl]-N-ethyl-2-methylprop-2-en-1-amine
SMILESC=C(C)CN(CC)Cc1ccccc1OCC
InChIInChI=1S/C15H23NO/c1-5-16(11-13(3)4)12-14-9-7-8-10-15(14)17-6-2/h7-10H,3,5-6,11-12H2,1-2,4H3
InChIKeyUBXCWAODQWFSPN-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.48
Rot. Bonds7

About N-[(2-ethoxyphenyl)methyl]-N-ethyl-2-methylprop-2-en-1-amine

N-[(2-ethoxyphenyl)methyl]-N-ethyl-2-methylprop-2-en-1-amine (PubChem CID 112796331) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-N-ethyl-2-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-N-ethyl-2-methylprop-2-en-1-amine
PubChem CID112796331
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-[(2-ethoxyphenyl)methyl]-N-ethyl-2-methylprop-2-en-1-amine
SMILESC=C(C)CN(CC)Cc1ccccc1OCC
InChIInChI=1S/C15H23NO/c1-5-16(11-13(3)4)12-14-9-7-8-10-15(14)17-6-2/h7-10H,3,5-6,11-12H2,1-2,4H3
InChIKeyUBXCWAODQWFSPN-UHFFFAOYSA-N
XLogP3.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-ethoxyphenyl)methyl-methylamino]propan-1-ol
CID 115877304
2-[(2-ethoxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 39366056
1-(2-ethoxyphenyl)-N-methanidyl-N-methylmethanamine
CID 59280687
2-bromo-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
CID 63678589
2-chloro-N-[(2-ethoxyphenyl)methyl]-N-prop-2-enylacetamide
CID 39366816
N-[(2-prop-2-enoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine
CID 46998544
methyl 3-[(2-ethoxyphenyl)methyl-methylamino]propanoate
CID 60965925
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-ethoxybenzoate
CID 55315041
3-[(2-ethoxyphenyl)methyl-ethylamino]butanoic acid
CID 55122799
3-(diethylaminomethyl)-4-ethoxyaniline
CID 12703368
2-[(2-ethoxyphenyl)methyl]-1,1-diethylguanidine
CID 111044278
N-[(2-ethoxyphenyl)methyl]-N-methylethanesulfonamide
CID 61355366

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-N-ethyl-2-methylprop-2-en-1-amine?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-N-ethyl-2-methylprop-2-en-1-amine (CID 112796331) is N-[(2-ethoxyphenyl)methyl]-N-ethyl-2-methylprop-2-en-1-amine.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-N-ethyl-2-methylprop-2-en-1-amine?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-N-ethyl-2-methylprop-2-en-1-amine is C=C(C)CN(CC)Cc1ccccc1OCC.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-N-ethyl-2-methylprop-2-en-1-amine?
The InChIKey is UBXCWAODQWFSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-5-16(11-13(3)4)12-14-9-7-8-10-15(14)17-6-2/h7-10H,3,5-6,11-12H2,1-2,4H3.
What are the key properties of N-[(2-ethoxyphenyl)methyl]-N-ethyl-2-methylprop-2-en-1-amine?
N-[(2-ethoxyphenyl)methyl]-N-ethyl-2-methylprop-2-en-1-amine has a molecular weight of 233.35 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-N-ethyl-2-methylprop-2-en-1-amine is sourced from PubChem (CID 112796331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).