N-(2-methoxyethyl)-3-(3-methoxyphenyl)prop-2-en-1-amine

C13H19NO2 — CID 79340458

IUPACN-(2-methoxyethyl)-3-(3-methoxyphenyl)prop-2-en-1-amine
SMILESCOCCNCC=Cc1cccc(OC)c1
InChIInChI=1S/C13H19NO2/c1-15-10-9-14-8-4-6-12-5-3-7-13(11-12)16-2/h3-7,11,14H,8-10H2,1-2H3
InChIKeyCXBFFCSQGOWMTN-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.94
Rot. Bonds7

About N-(2-methoxyethyl)-3-(3-methoxyphenyl)prop-2-en-1-amine

N-(2-methoxyethyl)-3-(3-methoxyphenyl)prop-2-en-1-amine (PubChem CID 79340458) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(3-methoxyphenyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(3-methoxyphenyl)prop-2-en-1-amine
PubChem CID79340458
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-(2-methoxyethyl)-3-(3-methoxyphenyl)prop-2-en-1-amine
SMILESCOCCNCC=Cc1cccc(OC)c1
InChIInChI=1S/C13H19NO2/c1-15-10-9-14-8-4-6-12-5-3-7-13(11-12)16-2/h3-7,11,14H,8-10H2,1-2H3
InChIKeyCXBFFCSQGOWMTN-UHFFFAOYSA-N
XLogP1.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 5382989
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CID 79341177
[(E)-3-(3-methoxyphenyl)prop-2-enyl] formate
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N-(2-methoxyethyl)-3-(3-methoxyphenoxy)propan-1-amine
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CID 79341174
N-(2-methoxyethyl)-4-(3-methoxyphenoxy)butan-1-amine
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3-(2,6-dichlorophenyl)-N-(2-methoxyethyl)prop-2-en-1-amine
CID 79340039
N-(2-methoxyethyl)-3-(2-methoxyphenyl)prop-2-en-1-amine
CID 78918220
4-(3-chlorophenyl)-N-(2-methoxyethyl)but-3-en-1-amine
CID 79598026
2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 17295666
3-[(E)-2-(3-methoxyphenyl)ethenyl]phenol
CID 11401879

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(3-methoxyphenyl)prop-2-en-1-amine?
The IUPAC name of N-(2-methoxyethyl)-3-(3-methoxyphenyl)prop-2-en-1-amine (CID 79340458) is N-(2-methoxyethyl)-3-(3-methoxyphenyl)prop-2-en-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-(3-methoxyphenyl)prop-2-en-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-(3-methoxyphenyl)prop-2-en-1-amine is COCCNCC=Cc1cccc(OC)c1.
What is the InChIKey of N-(2-methoxyethyl)-3-(3-methoxyphenyl)prop-2-en-1-amine?
The InChIKey is CXBFFCSQGOWMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-15-10-9-14-8-4-6-12-5-3-7-13(11-12)16-2/h3-7,11,14H,8-10H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-3-(3-methoxyphenyl)prop-2-en-1-amine?
N-(2-methoxyethyl)-3-(3-methoxyphenyl)prop-2-en-1-amine has a molecular weight of 221.30 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(3-methoxyphenyl)prop-2-en-1-amine is sourced from PubChem (CID 79340458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).