N-ethyl-5-(2-methoxyphenyl)-4-methylpent-3-en-1-amine

C15H23NO — CID 79599249

IUPACN-ethyl-5-(2-methoxyphenyl)-4-methylpent-3-en-1-amine
SMILESCCNCCC=C(C)Cc1ccccc1OC
InChIInChI=1S/C15H23NO/c1-4-16-11-7-8-13(2)12-14-9-5-6-10-15(14)17-3/h5-6,8-10,16H,4,7,11-12H2,1-3H3
InChIKeyJLERQWQZNNKCQA-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.18
Rot. Bonds7

About N-ethyl-5-(2-methoxyphenyl)-4-methylpent-3-en-1-amine

N-ethyl-5-(2-methoxyphenyl)-4-methylpent-3-en-1-amine (PubChem CID 79599249) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-ethyl-5-(2-methoxyphenyl)-4-methylpent-3-en-1-amine.

Molecular Properties

Compound NameN-ethyl-5-(2-methoxyphenyl)-4-methylpent-3-en-1-amine
PubChem CID79599249
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-ethyl-5-(2-methoxyphenyl)-4-methylpent-3-en-1-amine
SMILESCCNCCC=C(C)Cc1ccccc1OC
InChIInChI=1S/C15H23NO/c1-4-16-11-7-8-13(2)12-14-9-5-6-10-15(14)17-3/h5-6,8-10,16H,4,7,11-12H2,1-3H3
InChIKeyJLERQWQZNNKCQA-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(2-methoxyphenyl)-4-methyl-N-propylpent-3-en-1-amine
CID 79598739
N-ethyl-4-methyl-5-(2-methylphenyl)pent-3-en-1-amine
CID 79599356
N-ethyl-5-(3-fluoro-4-methoxyphenyl)-4-methylpent-3-en-1-amine
CID 79599741
5-(2-methoxy-5-methylphenyl)-4-methyl-N-propylpent-3-en-1-amine
CID 79598208
3-[5-(ethylamino)-2-methylpent-2-enyl]pyridin-2-amine
CID 79599485
N-ethyl-4-(2-methoxyphenyl)-3,3-dimethylbutan-1-amine
CID 81021747
4-(3,4-dimethoxyphenyl)-N-ethylpent-3-en-1-amine
CID 79597937
(Z)-4-(2-methoxyphenyl)-3-methylbut-2-enoic acid
CID 97301486
4-methyl-5-naphthalen-1-yl-N-propylpent-3-en-1-amine
CID 79598478
N-ethyl-2-(2-methoxyphenyl)acetamide
CID 3376729
4-(4-chloro-3-methoxyphenyl)-N-ethylpent-3-en-1-amine
CID 79699951
1-N-ethyl-3-N-[(2-methoxyphenyl)methyl]-3-N-methylbutane-1,3-diamine
CID 62436283

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(2-methoxyphenyl)-4-methylpent-3-en-1-amine?
The IUPAC name of N-ethyl-5-(2-methoxyphenyl)-4-methylpent-3-en-1-amine (CID 79599249) is N-ethyl-5-(2-methoxyphenyl)-4-methylpent-3-en-1-amine.
What is the SMILES notation for N-ethyl-5-(2-methoxyphenyl)-4-methylpent-3-en-1-amine?
The canonical SMILES for N-ethyl-5-(2-methoxyphenyl)-4-methylpent-3-en-1-amine is CCNCCC=C(C)Cc1ccccc1OC.
What is the InChIKey of N-ethyl-5-(2-methoxyphenyl)-4-methylpent-3-en-1-amine?
The InChIKey is JLERQWQZNNKCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-16-11-7-8-13(2)12-14-9-5-6-10-15(14)17-3/h5-6,8-10,16H,4,7,11-12H2,1-3H3.
What are the key properties of N-ethyl-5-(2-methoxyphenyl)-4-methylpent-3-en-1-amine?
N-ethyl-5-(2-methoxyphenyl)-4-methylpent-3-en-1-amine has a molecular weight of 233.35 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(2-methoxyphenyl)-4-methylpent-3-en-1-amine is sourced from PubChem (CID 79599249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).