3-ethenoxy-N-[1-(4-methylphenyl)ethyl]propan-1-amine

C14H21NO — CID 43207255

IUPAC3-ethenoxy-N-[1-(4-methylphenyl)ethyl]propan-1-amine
SMILESC=COCCCNC(C)c1ccc(C)cc1
InChIInChI=1S/C14H21NO/c1-4-16-11-5-10-15-13(3)14-8-6-12(2)7-9-14/h4,6-9,13,15H,1,5,10-11H2,2-3H3
InChIKeyZVXDAEOOKMBTCY-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.20
Rot. Bonds7

About 3-ethenoxy-N-[1-(4-methylphenyl)ethyl]propan-1-amine

3-ethenoxy-N-[1-(4-methylphenyl)ethyl]propan-1-amine (PubChem CID 43207255) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-ethenoxy-N-[1-(4-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-ethenoxy-N-[1-(4-methylphenyl)ethyl]propan-1-amine
PubChem CID43207255
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-ethenoxy-N-[1-(4-methylphenyl)ethyl]propan-1-amine
SMILESC=COCCCNC(C)c1ccc(C)cc1
InChIInChI=1S/C14H21NO/c1-4-16-11-5-10-15-13(3)14-8-6-12(2)7-9-14/h4,6-9,13,15H,1,5,10-11H2,2-3H3
InChIKeyZVXDAEOOKMBTCY-UHFFFAOYSA-N
XLogP3.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethenoxy-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]propan-1-amine
CID 43102840
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-ethenoxypropan-1-amine
CID 43207293
3-ethenoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine
CID 43207324
N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-ethenoxypropan-1-amine
CID 43207354
(1S)-N-(2-methoxyethyl)-1-(4-methylphenyl)ethanamine
CID 26601188
3-ethenoxy-N-[1-(2-methylphenyl)ethyl]propan-1-amine
CID 43207304
4-[1-(3-ethenoxypropylamino)ethyl]-2-methoxyphenol
CID 43207308
(1S)-N-[2-(3-methoxypropoxy)ethyl]-1-(4-methylphenyl)ethanamine
CID 103179242
N-[1-(4-methylphenyl)ethyl]octan-1-amine
CID 5158361
5-methyl-N-[1-(4-methylphenyl)ethyl]hexan-1-amine
CID 115325063
4-[[(1S)-1-(4-methylphenyl)ethyl]amino]butan-1-ol
CID 81356672
4-[[(1R)-1-(4-methylphenyl)ethyl]amino]butan-1-ol
CID 81356259

Frequently Asked Questions

What is the IUPAC name of 3-ethenoxy-N-[1-(4-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of 3-ethenoxy-N-[1-(4-methylphenyl)ethyl]propan-1-amine (CID 43207255) is 3-ethenoxy-N-[1-(4-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for 3-ethenoxy-N-[1-(4-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for 3-ethenoxy-N-[1-(4-methylphenyl)ethyl]propan-1-amine is C=COCCCNC(C)c1ccc(C)cc1.
What is the InChIKey of 3-ethenoxy-N-[1-(4-methylphenyl)ethyl]propan-1-amine?
The InChIKey is ZVXDAEOOKMBTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-16-11-5-10-15-13(3)14-8-6-12(2)7-9-14/h4,6-9,13,15H,1,5,10-11H2,2-3H3.
What are the key properties of 3-ethenoxy-N-[1-(4-methylphenyl)ethyl]propan-1-amine?
3-ethenoxy-N-[1-(4-methylphenyl)ethyl]propan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenoxy-N-[1-(4-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 43207255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).