N-[(4-but-3-en-2-yloxy-3-methoxyphenyl)methyl]ethanamine

C14H21NO2 — CID 62388608

IUPACN-[(4-but-3-en-2-yloxy-3-methoxyphenyl)methyl]ethanamine
SMILESC=CC(C)Oc1ccc(CNCC)cc1OC
InChIInChI=1S/C14H21NO2/c1-5-11(3)17-13-8-7-12(10-15-6-2)9-14(13)16-4/h5,7-9,11,15H,1,6,10H2,2-4H3
InChIKeyIXXRIQIRQFMACG-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.76
Rot. Bonds7

About N-[(4-but-3-en-2-yloxy-3-methoxyphenyl)methyl]ethanamine

N-[(4-but-3-en-2-yloxy-3-methoxyphenyl)methyl]ethanamine (PubChem CID 62388608) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(4-but-3-en-2-yloxy-3-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-but-3-en-2-yloxy-3-methoxyphenyl)methyl]ethanamine
PubChem CID62388608
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[(4-but-3-en-2-yloxy-3-methoxyphenyl)methyl]ethanamine
SMILESC=CC(C)Oc1ccc(CNCC)cc1OC
InChIInChI=1S/C14H21NO2/c1-5-11(3)17-13-8-7-12(10-15-6-2)9-14(13)16-4/h5,7-9,11,15H,1,6,10H2,2-4H3
InChIKeyIXXRIQIRQFMACG-UHFFFAOYSA-N
XLogP2.76
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-but-3-en-2-yloxy-3-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63058330
N-[(3-bromo-4-but-3-en-2-yloxyphenyl)methyl]ethanamine
CID 63045158
1-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]methanamine
CID 30611503
ethyl 2-[4-(ethylaminomethyl)-2-methoxyphenoxy]butanoate
CID 64669501
1-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 43391975
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine
CID 28611814
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]propan-2-ol
CID 83323480
N-[[3-methoxy-4-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]ethanamine
CID 61484060
N-[(4-but-3-en-2-yloxy-3-nitrophenyl)methyl]propan-1-amine
CID 55067763
N-[[4-but-3-en-2-yloxy-3-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine
CID 63319979
N-[(6,7-dimethoxynaphthalen-2-yl)methyl]ethanamine;hydrochloride
CID 20541787

Frequently Asked Questions

What is the IUPAC name of N-[(4-but-3-en-2-yloxy-3-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-but-3-en-2-yloxy-3-methoxyphenyl)methyl]ethanamine (CID 62388608) is N-[(4-but-3-en-2-yloxy-3-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-but-3-en-2-yloxy-3-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-but-3-en-2-yloxy-3-methoxyphenyl)methyl]ethanamine is C=CC(C)Oc1ccc(CNCC)cc1OC.
What is the InChIKey of N-[(4-but-3-en-2-yloxy-3-methoxyphenyl)methyl]ethanamine?
The InChIKey is IXXRIQIRQFMACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-11(3)17-13-8-7-12(10-15-6-2)9-14(13)16-4/h5,7-9,11,15H,1,6,10H2,2-4H3.
What are the key properties of N-[(4-but-3-en-2-yloxy-3-methoxyphenyl)methyl]ethanamine?
N-[(4-but-3-en-2-yloxy-3-methoxyphenyl)methyl]ethanamine has a molecular weight of 235.33 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-but-3-en-2-yloxy-3-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 62388608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).