5-(2-methoxyphenyl)-4-methyl-N-propylpent-3-en-1-amine

C16H25NO — CID 79598739

IUPAC5-(2-methoxyphenyl)-4-methyl-N-propylpent-3-en-1-amine
SMILESCCCNCCC=C(C)Cc1ccccc1OC
InChIInChI=1S/C16H25NO/c1-4-11-17-12-7-8-14(2)13-15-9-5-6-10-16(15)18-3/h5-6,8-10,17H,4,7,11-13H2,1-3H3
InChIKeyKTLDXNFZOKIZKG-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.57
Rot. Bonds8

About 5-(2-methoxyphenyl)-4-methyl-N-propylpent-3-en-1-amine

5-(2-methoxyphenyl)-4-methyl-N-propylpent-3-en-1-amine (PubChem CID 79598739) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-4-methyl-N-propylpent-3-en-1-amine.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-4-methyl-N-propylpent-3-en-1-amine
PubChem CID79598739
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name5-(2-methoxyphenyl)-4-methyl-N-propylpent-3-en-1-amine
SMILESCCCNCCC=C(C)Cc1ccccc1OC
InChIInChI=1S/C16H25NO/c1-4-11-17-12-7-8-14(2)13-15-9-5-6-10-16(15)18-3/h5-6,8-10,17H,4,7,11-13H2,1-3H3
InChIKeyKTLDXNFZOKIZKG-UHFFFAOYSA-N
XLogP3.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.57
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

N-ethyl-5-(2-methoxyphenyl)-4-methylpent-3-en-1-amine
CID 79599249
5-(2-methoxy-5-methylphenyl)-4-methyl-N-propylpent-3-en-1-amine
CID 79598208
4-methyl-5-naphthalen-1-yl-N-propylpent-3-en-1-amine
CID 79598478
5-(3-fluoro-4-methoxyphenyl)-4-methyl-N-propylpent-3-en-1-amine
CID 79598736
N-ethyl-4-methyl-5-(2-methylphenyl)pent-3-en-1-amine
CID 79599356
5-methoxy-4-methyl-N-propylpent-3-en-1-amine
CID 79599750
(Z)-5-(3-fluorophenyl)-4-methyl-N-propylpent-3-en-1-amine
CID 79599377
4-(2-methoxyphenyl)-2-methyl-N-propylbutan-1-amine
CID 64664350
(Z)-4-(2-methoxyphenyl)-3-methylbut-2-enoic acid
CID 97301486
N-ethyl-5-(3-fluoro-4-methoxyphenyl)-4-methylpent-3-en-1-amine
CID 79599741
(Z)-4-methyl-5-(1-methylpyrazol-3-yl)-N-propylpent-3-en-1-amine
CID 82881878
2-ethyl-2-[(2-methoxyphenyl)methyl]-N-propylbutan-1-amine
CID 55106604

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-4-methyl-N-propylpent-3-en-1-amine?
The IUPAC name of 5-(2-methoxyphenyl)-4-methyl-N-propylpent-3-en-1-amine (CID 79598739) is 5-(2-methoxyphenyl)-4-methyl-N-propylpent-3-en-1-amine.
What is the SMILES notation for 5-(2-methoxyphenyl)-4-methyl-N-propylpent-3-en-1-amine?
The canonical SMILES for 5-(2-methoxyphenyl)-4-methyl-N-propylpent-3-en-1-amine is CCCNCCC=C(C)Cc1ccccc1OC.
What is the InChIKey of 5-(2-methoxyphenyl)-4-methyl-N-propylpent-3-en-1-amine?
The InChIKey is KTLDXNFZOKIZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-11-17-12-7-8-14(2)13-15-9-5-6-10-16(15)18-3/h5-6,8-10,17H,4,7,11-13H2,1-3H3.
What are the key properties of 5-(2-methoxyphenyl)-4-methyl-N-propylpent-3-en-1-amine?
5-(2-methoxyphenyl)-4-methyl-N-propylpent-3-en-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-4-methyl-N-propylpent-3-en-1-amine is sourced from PubChem (CID 79598739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).