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

C17H27NO — CID 79598208

IUPAC5-(2-methoxy-5-methylphenyl)-4-methyl-N-propylpent-3-en-1-amine
SMILESCCCNCCC=C(C)Cc1cc(C)ccc1OC
InChIInChI=1S/C17H27NO/c1-5-10-18-11-6-7-14(2)12-16-13-15(3)8-9-17(16)19-4/h7-9,13,18H,5-6,10-12H2,1-4H3
InChIKeyIHZONNAAQVZCRJ-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.88
Rot. Bonds8

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

5-(2-methoxy-5-methylphenyl)-4-methyl-N-propylpent-3-en-1-amine (PubChem CID 79598208) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 5-(2-methoxy-5-methylphenyl)-4-methyl-N-propylpent-3-en-1-amine.

Molecular Properties

Compound Name5-(2-methoxy-5-methylphenyl)-4-methyl-N-propylpent-3-en-1-amine
PubChem CID79598208
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name5-(2-methoxy-5-methylphenyl)-4-methyl-N-propylpent-3-en-1-amine
SMILESCCCNCCC=C(C)Cc1cc(C)ccc1OC
InChIInChI=1S/C17H27NO/c1-5-10-18-11-6-7-14(2)12-16-13-15(3)8-9-17(16)19-4/h7-9,13,18H,5-6,10-12H2,1-4H3
InChIKeyIHZONNAAQVZCRJ-UHFFFAOYSA-N
XLogP3.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.88
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
5-(3-fluoro-4-methoxyphenyl)-4-methyl-N-propylpent-3-en-1-amine
CID 79598736
N-ethyl-5-(2-methoxyphenyl)-4-methylpent-3-en-1-amine
CID 79599249
(Z)-5-(3-fluorophenyl)-4-methyl-N-propylpent-3-en-1-amine
CID 79599377
N-ethyl-5-(3-fluoro-4-methoxyphenyl)-4-methylpent-3-en-1-amine
CID 79599741
5-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine
CID 79607658
5-(3-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine
CID 79607656
5-methoxy-4-methyl-N-propylpent-3-en-1-amine
CID 79599750
4-methyl-5-naphthalen-1-yl-N-propylpent-3-en-1-amine
CID 79598478
4-(3,4-dimethoxyphenyl)-N-propylbut-3-en-1-amine
CID 79593408
2-[2-(2-methoxy-5-methylphenyl)ethylamino]ethanethiol
CID 115224182
N-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81026863

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-5-methylphenyl)-4-methyl-N-propylpent-3-en-1-amine?
The IUPAC name of 5-(2-methoxy-5-methylphenyl)-4-methyl-N-propylpent-3-en-1-amine (CID 79598208) is 5-(2-methoxy-5-methylphenyl)-4-methyl-N-propylpent-3-en-1-amine.
What is the SMILES notation for 5-(2-methoxy-5-methylphenyl)-4-methyl-N-propylpent-3-en-1-amine?
The canonical SMILES for 5-(2-methoxy-5-methylphenyl)-4-methyl-N-propylpent-3-en-1-amine is CCCNCCC=C(C)Cc1cc(C)ccc1OC.
What is the InChIKey of 5-(2-methoxy-5-methylphenyl)-4-methyl-N-propylpent-3-en-1-amine?
The InChIKey is IHZONNAAQVZCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-10-18-11-6-7-14(2)12-16-13-15(3)8-9-17(16)19-4/h7-9,13,18H,5-6,10-12H2,1-4H3.
What are the key properties of 5-(2-methoxy-5-methylphenyl)-4-methyl-N-propylpent-3-en-1-amine?
5-(2-methoxy-5-methylphenyl)-4-methyl-N-propylpent-3-en-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-5-methylphenyl)-4-methyl-N-propylpent-3-en-1-amine is sourced from PubChem (CID 79598208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).