3-ethenoxy-N-[1-(2-methylphenyl)ethyl]propan-1-amine

C14H21NO — CID 43207304

IUPAC3-ethenoxy-N-[1-(2-methylphenyl)ethyl]propan-1-amine
SMILESC=COCCCNC(C)c1ccccc1C
InChIInChI=1S/C14H21NO/c1-4-16-11-7-10-15-13(3)14-9-6-5-8-12(14)2/h4-6,8-9,13,15H,1,7,10-11H2,2-3H3
InChIKeyPAWSKDFNRKNXGP-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.20
Rot. Bonds7

About 3-ethenoxy-N-[1-(2-methylphenyl)ethyl]propan-1-amine

3-ethenoxy-N-[1-(2-methylphenyl)ethyl]propan-1-amine (PubChem CID 43207304) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-ethenoxy-N-[1-(2-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-ethenoxy-N-[1-(2-methylphenyl)ethyl]propan-1-amine
PubChem CID43207304
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-ethenoxy-N-[1-(2-methylphenyl)ethyl]propan-1-amine
SMILESC=COCCCNC(C)c1ccccc1C
InChIInChI=1S/C14H21NO/c1-4-16-11-7-10-15-13(3)14-9-6-5-8-12(14)2/h4-6,8-9,13,15H,1,7,10-11H2,2-3H3
InChIKeyPAWSKDFNRKNXGP-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

4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]butan-1-amine
CID 104647527
N-[1-(2-methylphenyl)ethyl]-3-propoxypropan-1-amine
CID 82941407
3-ethenoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine
CID 43207324
2-[1-(3-ethenoxypropylamino)ethyl]naphthalen-1-ol
CID 43207266
N-[(1S)-1-(2-methylphenyl)ethyl]but-3-en-1-amine
CID 81374868
3-ethenoxy-N-[1-(4-methylphenyl)ethyl]propan-1-amine
CID 43207255
N'-[1-(2-methylphenyl)ethyl]propane-1,3-diamine
CID 60889520
N-[1-(2-methylphenyl)ethyl]pentan-1-amine
CID 43177677
N-[(1R)-1-(2-methylphenyl)ethyl]heptan-1-amine
CID 81373594
N-[(1R)-1-(2-methylphenyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 28653117
4-[[(1S)-1-(2-methylphenyl)ethyl]amino]butanenitrile
CID 81374879
6-[[(1S)-1-(2-methylphenyl)ethyl]amino]hexan-1-ol
CID 107703523

Frequently Asked Questions

What is the IUPAC name of 3-ethenoxy-N-[1-(2-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of 3-ethenoxy-N-[1-(2-methylphenyl)ethyl]propan-1-amine (CID 43207304) is 3-ethenoxy-N-[1-(2-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for 3-ethenoxy-N-[1-(2-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for 3-ethenoxy-N-[1-(2-methylphenyl)ethyl]propan-1-amine is C=COCCCNC(C)c1ccccc1C.
What is the InChIKey of 3-ethenoxy-N-[1-(2-methylphenyl)ethyl]propan-1-amine?
The InChIKey is PAWSKDFNRKNXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-16-11-7-10-15-13(3)14-9-6-5-8-12(14)2/h4-6,8-9,13,15H,1,7,10-11H2,2-3H3.
What are the key properties of 3-ethenoxy-N-[1-(2-methylphenyl)ethyl]propan-1-amine?
3-ethenoxy-N-[1-(2-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-(2-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 43207304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).