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

C16H25NO — CID 114474078

IUPAC1-(2-methoxyphenyl)-4-methyl-N-propylpent-4-en-1-amine
SMILESC=C(C)CCC(NCCC)c1ccccc1OC
InChIInChI=1S/C16H25NO/c1-5-12-17-15(11-10-13(2)3)14-8-6-7-9-16(14)18-4/h6-9,15,17H,2,5,10-12H2,1,3-4H3
InChIKeyWEVQEXGIBTWTQM-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.09
Rot. Bonds8

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

1-(2-methoxyphenyl)-4-methyl-N-propylpent-4-en-1-amine (PubChem CID 114474078) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-methyl-N-propylpent-4-en-1-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-methyl-N-propylpent-4-en-1-amine
PubChem CID114474078
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(2-methoxyphenyl)-4-methyl-N-propylpent-4-en-1-amine
SMILESC=C(C)CCC(NCCC)c1ccccc1OC
InChIInChI=1S/C16H25NO/c1-5-12-17-15(11-10-13(2)3)14-8-6-7-9-16(14)18-4/h6-9,15,17H,2,5,10-12H2,1,3-4H3
InChIKeyWEVQEXGIBTWTQM-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
1-(3,4-dimethoxyphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114474092
3-cyclopentyl-1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 115792780
1-(2-methoxyphenyl)-N-propylhex-4-yn-1-amine
CID 113455163
1-(2-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 115894124
N-[1-(2-methoxyphenyl)propyl]-2-methylprop-2-en-1-amine
CID 115900226
1-(2,5-dimethylphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 105039435
1-(2-ethoxyphenyl)-N-propylpentan-1-amine
CID 79411524
3-methoxy-1-(2-propoxyphenyl)-N-propylpropan-1-amine
CID 104659966
1-(2,3-dimethoxyphenyl)-N-propylpentan-1-amine
CID 105125511
1-(4-bromo-2-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 105039445
1-(2-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine
CID 114466724

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-methyl-N-propylpent-4-en-1-amine?
The IUPAC name of 1-(2-methoxyphenyl)-4-methyl-N-propylpent-4-en-1-amine (CID 114474078) is 1-(2-methoxyphenyl)-4-methyl-N-propylpent-4-en-1-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-methyl-N-propylpent-4-en-1-amine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-methyl-N-propylpent-4-en-1-amine is C=C(C)CCC(NCCC)c1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenyl)-4-methyl-N-propylpent-4-en-1-amine?
The InChIKey is WEVQEXGIBTWTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-5-12-17-15(11-10-13(2)3)14-8-6-7-9-16(14)18-4/h6-9,15,17H,2,5,10-12H2,1,3-4H3.
What are the key properties of 1-(2-methoxyphenyl)-4-methyl-N-propylpent-4-en-1-amine?
1-(2-methoxyphenyl)-4-methyl-N-propylpent-4-en-1-amine has a molecular weight of 247.38 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-methyl-N-propylpent-4-en-1-amine is sourced from PubChem (CID 114474078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).