1-(3-ethoxyphenyl)-N-ethylpent-3-yn-1-amine

C15H21NO — CID 62309984

IUPAC1-(3-ethoxyphenyl)-N-ethylpent-3-yn-1-amine
SMILESCC#CCC(NCC)c1cccc(OCC)c1
InChIInChI=1S/C15H21NO/c1-4-7-11-15(16-5-2)13-9-8-10-14(12-13)17-6-3/h8-10,12,15-16H,5-6,11H2,1-3H3
InChIKeyLTCSXLPPEKCLGH-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.15
Rot. Bonds6

About 1-(3-ethoxyphenyl)-N-ethylpent-3-yn-1-amine

1-(3-ethoxyphenyl)-N-ethylpent-3-yn-1-amine (PubChem CID 62309984) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-N-ethylpent-3-yn-1-amine.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-N-ethylpent-3-yn-1-amine
PubChem CID62309984
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(3-ethoxyphenyl)-N-ethylpent-3-yn-1-amine
SMILESCC#CCC(NCC)c1cccc(OCC)c1
InChIInChI=1S/C15H21NO/c1-4-7-11-15(16-5-2)13-9-8-10-14(12-13)17-6-3/h8-10,12,15-16H,5-6,11H2,1-3H3
InChIKeyLTCSXLPPEKCLGH-UHFFFAOYSA-N
XLogP3.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.15
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-(3-ethoxyphenyl)pent-3-yn-1-amine
CID 62309982
2-ethoxy-1-(3-ethoxyphenyl)-N-ethylethanamine
CID 79574698
N-[(3,5-dimethylphenyl)-(3-ethoxyphenyl)methyl]ethanamine
CID 60919282
1-(4-butoxyphenyl)-N-ethylpent-3-yn-1-amine
CID 105111943
1-(3-ethoxyphenyl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 83175084
1-(3-ethoxyphenyl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 63192449
1-(3,4-diethoxyphenyl)-N-propylpent-3-yn-1-amine
CID 115819147
1-(4-ethoxyphenyl)pent-3-ynylhydrazine
CID 105290586
1-(3-ethoxyphenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876306
N-ethyl-1-(3-phenylmethoxyphenyl)but-3-yn-1-amine
CID 105077579
1-(dichloromethyl)-3-ethoxybenzene
CID 54222929
N-ethyl-1-(3,4,5-trimethoxyphenyl)pent-3-yn-1-amine
CID 115819415

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-N-ethylpent-3-yn-1-amine?
The IUPAC name of 1-(3-ethoxyphenyl)-N-ethylpent-3-yn-1-amine (CID 62309984) is 1-(3-ethoxyphenyl)-N-ethylpent-3-yn-1-amine.
What is the SMILES notation for 1-(3-ethoxyphenyl)-N-ethylpent-3-yn-1-amine?
The canonical SMILES for 1-(3-ethoxyphenyl)-N-ethylpent-3-yn-1-amine is CC#CCC(NCC)c1cccc(OCC)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-N-ethylpent-3-yn-1-amine?
The InChIKey is LTCSXLPPEKCLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-4-7-11-15(16-5-2)13-9-8-10-14(12-13)17-6-3/h8-10,12,15-16H,5-6,11H2,1-3H3.
What are the key properties of 1-(3-ethoxyphenyl)-N-ethylpent-3-yn-1-amine?
1-(3-ethoxyphenyl)-N-ethylpent-3-yn-1-amine has a molecular weight of 231.34 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-N-ethylpent-3-yn-1-amine is sourced from PubChem (CID 62309984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).