1-phenoxy-N-propylpent-4-yn-2-amine

C14H19NO — CID 62717059

IUPAC1-phenoxy-N-propylpent-4-yn-2-amine
SMILESC#CCC(COc1ccccc1)NCCC
InChIInChI=1S/C14H19NO/c1-3-8-13(15-11-4-2)12-16-14-9-6-5-7-10-14/h1,5-7,9-10,13,15H,4,8,11-12H2,2H3
InChIKeyDGSPJFUEQYMPDS-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.46
Rot. Bonds7

About 1-phenoxy-N-propylpent-4-yn-2-amine

1-phenoxy-N-propylpent-4-yn-2-amine (PubChem CID 62717059) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-phenoxy-N-propylpent-4-yn-2-amine.

Molecular Properties

Compound Name1-phenoxy-N-propylpent-4-yn-2-amine
PubChem CID62717059
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-phenoxy-N-propylpent-4-yn-2-amine
SMILESC#CCC(COc1ccccc1)NCCC
InChIInChI=1S/C14H19NO/c1-3-8-13(15-11-4-2)12-16-14-9-6-5-7-10-14/h1,5-7,9-10,13,15H,4,8,11-12H2,2H3
InChIKeyDGSPJFUEQYMPDS-UHFFFAOYSA-N
XLogP2.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.46
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

1-phenoxy-N-propyldecan-2-amine
CID 63416663
1-(2-chlorophenyl)-3-phenoxy-N-propylpropan-2-amine
CID 63416575
4-methyl-1-phenoxy-N-propylpent-4-en-2-amine
CID 79180343
5-methoxy-1-phenoxy-N-propylpentan-2-amine
CID 112688298
1-(4-phenoxyphenoxy)-N-propylpropan-2-amine
CID 63474715
1-(3-methylphenyl)-N-propylpent-4-yn-2-amine
CID 62235336
1,1-diphenyl-N-propylpent-4-yn-2-amine
CID 62233521
1-(3-methylphenoxy)-N-propylbutan-2-amine
CID 62038069
4-(oxolan-2-yl)-1-phenoxy-N-propylbutan-2-amine
CID 65164248
1-phenoxyhex-5-yn-3-ylhydrazine
CID 105191454
1-phenoxy-N-propylnonan-3-amine
CID 63414499
N-[1-(3,4-dimethylphenyl)-2-phenoxyethyl]propan-1-amine
CID 63416441

Frequently Asked Questions

What is the IUPAC name of 1-phenoxy-N-propylpent-4-yn-2-amine?
The IUPAC name of 1-phenoxy-N-propylpent-4-yn-2-amine (CID 62717059) is 1-phenoxy-N-propylpent-4-yn-2-amine.
What is the SMILES notation for 1-phenoxy-N-propylpent-4-yn-2-amine?
The canonical SMILES for 1-phenoxy-N-propylpent-4-yn-2-amine is C#CCC(COc1ccccc1)NCCC.
What is the InChIKey of 1-phenoxy-N-propylpent-4-yn-2-amine?
The InChIKey is DGSPJFUEQYMPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-3-8-13(15-11-4-2)12-16-14-9-6-5-7-10-14/h1,5-7,9-10,13,15H,4,8,11-12H2,2H3.
What are the key properties of 1-phenoxy-N-propylpent-4-yn-2-amine?
1-phenoxy-N-propylpent-4-yn-2-amine has a molecular weight of 217.31 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxy-N-propylpent-4-yn-2-amine is sourced from PubChem (CID 62717059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).