3-(3-ethoxyphenyl)-2-methyl-N-propylprop-2-en-1-amine

C15H23NO — CID 79340193

IUPAC3-(3-ethoxyphenyl)-2-methyl-N-propylprop-2-en-1-amine
SMILESCCCNCC(C)=Cc1cccc(OCC)c1
InChIInChI=1S/C15H23NO/c1-4-9-16-12-13(3)10-14-7-6-8-15(11-14)17-5-2/h6-8,10-11,16H,4-5,9,12H2,1-3H3
InChIKeyUDUCPTBZWVZBFN-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.49
Rot. Bonds7

About 3-(3-ethoxyphenyl)-2-methyl-N-propylprop-2-en-1-amine

3-(3-ethoxyphenyl)-2-methyl-N-propylprop-2-en-1-amine (PubChem CID 79340193) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 3-(3-ethoxyphenyl)-2-methyl-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(3-ethoxyphenyl)-2-methyl-N-propylprop-2-en-1-amine
PubChem CID79340193
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name3-(3-ethoxyphenyl)-2-methyl-N-propylprop-2-en-1-amine
SMILESCCCNCC(C)=Cc1cccc(OCC)c1
InChIInChI=1S/C15H23NO/c1-4-9-16-12-13(3)10-14-7-6-8-15(11-14)17-5-2/h6-8,10-11,16H,4-5,9,12H2,1-3H3
InChIKeyUDUCPTBZWVZBFN-UHFFFAOYSA-N
XLogP3.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-ethoxyphenyl)-N-ethyl-2-methylprop-2-en-1-amine
CID 79341319
1-ethoxy-3-(2-methylprop-1-enyl)benzene
CID 139695062
3-(3-ethoxy-4-methoxyphenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 79341431
3-(3,5-dimethoxyphenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 79340398
2-methyl-N-propan-2-yl-3-(3-propoxyphenyl)prop-2-en-1-amine
CID 79340094
N-ethyl-2-methyl-3-(3-propan-2-yloxyphenyl)prop-2-en-1-amine
CID 79340694
3-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methyl-N-propylprop-2-en-1-amine
CID 79343595
ethyl (E)-3-(3-ethoxyphenyl)-2-methylprop-2-enoate
CID 104503552
(E)-3-(3-ethoxyphenyl)prop-2-en-1-ol
CID 11073969
(2E)-3-methyl-N-propyl-2-[[3-(trifluoromethoxy)phenyl]methylidene]butan-1-amine
CID 107105341
N-(2-methoxyethyl)-2-[(3-propoxyphenyl)methylidene]butan-1-amine
CID 79339046
1-ethenyl-3-ethoxybenzene
CID 11672687

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxyphenyl)-2-methyl-N-propylprop-2-en-1-amine?
The IUPAC name of 3-(3-ethoxyphenyl)-2-methyl-N-propylprop-2-en-1-amine (CID 79340193) is 3-(3-ethoxyphenyl)-2-methyl-N-propylprop-2-en-1-amine.
What is the SMILES notation for 3-(3-ethoxyphenyl)-2-methyl-N-propylprop-2-en-1-amine?
The canonical SMILES for 3-(3-ethoxyphenyl)-2-methyl-N-propylprop-2-en-1-amine is CCCNCC(C)=Cc1cccc(OCC)c1.
What is the InChIKey of 3-(3-ethoxyphenyl)-2-methyl-N-propylprop-2-en-1-amine?
The InChIKey is UDUCPTBZWVZBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-9-16-12-13(3)10-14-7-6-8-15(11-14)17-5-2/h6-8,10-11,16H,4-5,9,12H2,1-3H3.
What are the key properties of 3-(3-ethoxyphenyl)-2-methyl-N-propylprop-2-en-1-amine?
3-(3-ethoxyphenyl)-2-methyl-N-propylprop-2-en-1-amine has a molecular weight of 233.35 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxyphenyl)-2-methyl-N-propylprop-2-en-1-amine is sourced from PubChem (CID 79340193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).