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

C12H17NO — CID 15884723

IUPAC1-(2-methoxyphenyl)pent-4-en-1-amine
SMILESC=CCCC(N)c1ccccc1OC
InChIInChI=1S/C12H17NO/c1-3-4-8-11(13)10-7-5-6-9-12(10)14-2/h3,5-7,9,11H,1,4,8,13H2,2H3
InChIKeyMLEIAANUDPKWQX-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.66
Rot. Bonds5

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

1-(2-methoxyphenyl)pent-4-en-1-amine (PubChem CID 15884723) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)pent-4-en-1-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)pent-4-en-1-amine
PubChem CID15884723
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-(2-methoxyphenyl)pent-4-en-1-amine
SMILESC=CCCC(N)c1ccccc1OC
InChIInChI=1S/C12H17NO/c1-3-4-8-11(13)10-7-5-6-9-12(10)14-2/h3,5-7,9,11H,1,4,8,13H2,2H3
InChIKeyMLEIAANUDPKWQX-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
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

(1R)-1-(2-fluoro-3-methoxyphenyl)pent-4-en-1-amine;hydrochloride
CID 171205721
(1S)-1-(2-methoxyphenyl)propane-1,3-diamine
CID 171219974
(1R)-1-(4-bromo-2-methoxyphenyl)pent-4-en-1-amine
CID 171204809
(1R)-1-(2,5-dimethoxyphenyl)pent-4-en-1-amine;hydrochloride
CID 171200247
2-[(1S)-1-aminopent-4-enyl]-3-methoxyphenol
CID 171235946
(1R)-1-(2-methylphenyl)pent-4-en-1-amine;hydrochloride
CID 171209860
(1S)-1-(2-chloro-3,4-dimethoxyphenyl)pent-4-en-1-amine
CID 171221566
1-(2-ethylphenyl)pent-4-en-1-amine
CID 104987661
1-(2-iodophenyl)pent-4-en-1-amine
CID 104987635
(1S)-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-amine
CID 171219989
(1S)-1-(2-methoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171219977
(1R)-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-amine
CID 171200452

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)pent-4-en-1-amine?
The IUPAC name of 1-(2-methoxyphenyl)pent-4-en-1-amine (CID 15884723) is 1-(2-methoxyphenyl)pent-4-en-1-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)pent-4-en-1-amine?
The canonical SMILES for 1-(2-methoxyphenyl)pent-4-en-1-amine is C=CCCC(N)c1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenyl)pent-4-en-1-amine?
The InChIKey is MLEIAANUDPKWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-4-8-11(13)10-7-5-6-9-12(10)14-2/h3,5-7,9,11H,1,4,8,13H2,2H3.
What are the key properties of 1-(2-methoxyphenyl)pent-4-en-1-amine?
1-(2-methoxyphenyl)pent-4-en-1-amine has a molecular weight of 191.27 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)pent-4-en-1-amine is sourced from PubChem (CID 15884723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).