1-(4-methoxyphenyl)pent-4-en-2-amine

C12H17NO — CID 14608550

IUPAC1-(4-methoxyphenyl)pent-4-en-2-amine
SMILESC=CCC(N)Cc1ccc(OC)cc1
InChIInChI=1S/C12H17NO/c1-3-4-11(13)9-10-5-7-12(14-2)8-6-10/h3,5-8,11H,1,4,9,13H2,2H3
InChIKeyFPFYDCHSFZELLD-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.14
Rot. Bonds5

About 1-(4-methoxyphenyl)pent-4-en-2-amine

1-(4-methoxyphenyl)pent-4-en-2-amine (PubChem CID 14608550) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)pent-4-en-2-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)pent-4-en-2-amine
PubChem CID14608550
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-(4-methoxyphenyl)pent-4-en-2-amine
SMILESC=CCC(N)Cc1ccc(OC)cc1
InChIInChI=1S/C12H17NO/c1-3-4-11(13)9-10-5-7-12(14-2)8-6-10/h3,5-8,11H,1,4,9,13H2,2H3
InChIKeyFPFYDCHSFZELLD-UHFFFAOYSA-N
XLogP2.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.14
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

2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 14412118
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 11788635
1-(4-propan-2-ylphenyl)pent-4-en-2-amine
CID 116660393
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol;hydrochloride
CID 131875869
(2S)-1-chloro-3-(4-methoxyphenyl)propan-2-amine
CID 89360253
(2S)-2-amino-3-[4-(4-methoxyphenoxy)phenyl]propan-1-ol;hydrochloride
CID 24815980
1-(4-methoxyphenyl)heptan-2-amine
CID 61079044
1-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 18711783
1-methoxy-4-[1-(4-methoxyphenyl)but-3-enyl]benzene
CID 10912530
1-(4-methoxyphenyl)hex-5-en-2-ylhydrazine
CID 105205438
1-(4-methoxyphenyl)hex-5-en-3-ol
CID 73210923
(2S)-N-[(4-methoxyphenyl)methyl]pent-4-en-2-amine
CID 130367202

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)pent-4-en-2-amine?
The IUPAC name of 1-(4-methoxyphenyl)pent-4-en-2-amine (CID 14608550) is 1-(4-methoxyphenyl)pent-4-en-2-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)pent-4-en-2-amine?
The canonical SMILES for 1-(4-methoxyphenyl)pent-4-en-2-amine is C=CCC(N)Cc1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)pent-4-en-2-amine?
The InChIKey is FPFYDCHSFZELLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-4-11(13)9-10-5-7-12(14-2)8-6-10/h3,5-8,11H,1,4,9,13H2,2H3.
What are the key properties of 1-(4-methoxyphenyl)pent-4-en-2-amine?
1-(4-methoxyphenyl)pent-4-en-2-amine has a molecular weight of 191.27 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)pent-4-en-2-amine is sourced from PubChem (CID 14608550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).