N-[(4-ethoxyphenyl)methyl]ethenamine

C11H15NO — CID 166934902

IUPACN-[(4-ethoxyphenyl)methyl]ethenamine
SMILESC=CNCc1ccc(OCC)cc1
InChIInChI=1S/C11H15NO/c1-3-12-9-10-5-7-11(8-6-10)13-4-2/h3,5-8,12H,1,4,9H2,2H3
InChIKeyHPRZXPFDZCGAOR-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.32
Rot. Bonds5

About N-[(4-ethoxyphenyl)methyl]ethenamine

N-[(4-ethoxyphenyl)methyl]ethenamine (PubChem CID 166934902) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]ethenamine.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]ethenamine
PubChem CID166934902
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC NameN-[(4-ethoxyphenyl)methyl]ethenamine
SMILESC=CNCc1ccc(OCC)cc1
InChIInChI=1S/C11H15NO/c1-3-12-9-10-5-7-11(8-6-10)13-4-2/h3,5-8,12H,1,4,9H2,2H3
InChIKeyHPRZXPFDZCGAOR-UHFFFAOYSA-N
XLogP2.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxyphenyl)-N-[(4-ethoxyphenyl)methyl]methanamine;hydrochloride
CID 170995213
1-[(4-ethoxyphenyl)methyl]-3-prop-2-enylurea
CID 108884465
N-(bromomethyl)-1-(4-ethoxyphenyl)methanamine
CID 115261867
N,N'-bis[(4-ethoxyphenyl)methyl]oxamide
CID 125144939
1-[(4-ethoxyphenyl)methyl]-3-ethylurea
CID 108884423
3-[(4-ethoxyphenyl)methyl]-1,1-bis(prop-2-enyl)urea
CID 108884391
N-[[4-(4-ethoxyphenyl)phenyl]methyl]cyclopropanamine
CID 61025702
N-[(4-ethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331532
1-(4-ethoxyphenyl)-N-methylbut-3-en-2-amine
CID 91072459
N-[(4-ethoxyphenyl)methyl]-2-methylbutan-2-amine
CID 17206624
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine
CID 961342
(E)-N-[(4-ethoxyphenyl)methyl]pent-3-en-1-amine
CID 115629115

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]ethenamine?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]ethenamine (CID 166934902) is N-[(4-ethoxyphenyl)methyl]ethenamine.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]ethenamine?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]ethenamine is C=CNCc1ccc(OCC)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]ethenamine?
The InChIKey is HPRZXPFDZCGAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-3-12-9-10-5-7-11(8-6-10)13-4-2/h3,5-8,12H,1,4,9H2,2H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]ethenamine?
N-[(4-ethoxyphenyl)methyl]ethenamine has a molecular weight of 177.25 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]ethenamine is sourced from PubChem (CID 166934902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).