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

C12H15NO — CID 84752978

IUPAC2-(4-methoxyphenyl)pent-4-yn-1-amine
SMILESC#CCC(CN)c1ccc(OC)cc1
InChIInChI=1S/C12H15NO/c1-3-4-11(9-13)10-5-7-12(14-2)8-6-10/h1,5-8,11H,4,9,13H2,2H3
InChIKeyHIAIHOGOQANLTB-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.76
Rot. Bonds4

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

2-(4-methoxyphenyl)pent-4-yn-1-amine (PubChem CID 84752978) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)pent-4-yn-1-amine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)pent-4-yn-1-amine
PubChem CID84752978
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2-(4-methoxyphenyl)pent-4-yn-1-amine
SMILESC#CCC(CN)c1ccc(OC)cc1
InChIInChI=1S/C12H15NO/c1-3-4-11(9-13)10-5-7-12(14-2)8-6-10/h1,5-8,11H,4,9,13H2,2H3
InChIKeyHIAIHOGOQANLTB-UHFFFAOYSA-N
XLogP1.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)propane-1,3-diamine
CID 20546608
(2S)-2-(4-methoxyphenyl)butan-1-amine
CID 15215732
3-amino-2-(4-methoxyphenyl)propan-1-ol
CID 75251632
(2S)-3-amino-2-(4-methoxyphenyl)propan-1-ol
CID 46911827
2-(4-methoxyphenyl)-3-methylsulfanylpropan-1-amine
CID 117245021
1,1-bis(4-methoxyphenyl)pent-4-yn-2-ol
CID 88896998
2-(4-methoxyphenyl)-N',N'-dipropylpropane-1,3-diamine
CID 82107529
1-(4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 70626122
2-(4-methoxyphenyl)-3-(2,4,5-trimethoxyphenyl)propan-1-amine
CID 83972538
1-methoxy-4-prop-2-ynylbenzene
CID 10773115
1-[(1S,2R)-1-ethynyl-2-(4-methoxyphenyl)but-3-ynyl]-4-methoxybenzene
CID 132575101
2-(4-methoxyphenyl)-4-pyridin-4-ylbutan-1-amine
CID 112509074

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)pent-4-yn-1-amine?
The IUPAC name of 2-(4-methoxyphenyl)pent-4-yn-1-amine (CID 84752978) is 2-(4-methoxyphenyl)pent-4-yn-1-amine.
What is the SMILES notation for 2-(4-methoxyphenyl)pent-4-yn-1-amine?
The canonical SMILES for 2-(4-methoxyphenyl)pent-4-yn-1-amine is C#CCC(CN)c1ccc(OC)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)pent-4-yn-1-amine?
The InChIKey is HIAIHOGOQANLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-3-4-11(9-13)10-5-7-12(14-2)8-6-10/h1,5-8,11H,4,9,13H2,2H3.
What are the key properties of 2-(4-methoxyphenyl)pent-4-yn-1-amine?
2-(4-methoxyphenyl)pent-4-yn-1-amine has a molecular weight of 189.26 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)pent-4-yn-1-amine is sourced from PubChem (CID 84752978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).