1-(4-but-3-ynoxyphenyl)-N-ethylethanamine

C14H19NO — CID 60880991

IUPAC1-(4-but-3-ynoxyphenyl)-N-ethylethanamine
SMILESC#CCCOc1ccc(C(C)NCC)cc1
InChIInChI=1S/C14H19NO/c1-4-6-11-16-14-9-7-13(8-10-14)12(3)15-5-2/h1,7-10,12,15H,5-6,11H2,2-3H3
InChIKeyNDGFODSFZURPFY-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.76
Rot. Bonds6

About 1-(4-but-3-ynoxyphenyl)-N-ethylethanamine

1-(4-but-3-ynoxyphenyl)-N-ethylethanamine (PubChem CID 60880991) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(4-but-3-ynoxyphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(4-but-3-ynoxyphenyl)-N-ethylethanamine
PubChem CID60880991
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-(4-but-3-ynoxyphenyl)-N-ethylethanamine
SMILESC#CCCOc1ccc(C(C)NCC)cc1
InChIInChI=1S/C14H19NO/c1-4-6-11-16-14-9-7-13(8-10-14)12(3)15-5-2/h1,7-10,12,15H,5-6,11H2,2-3H3
InChIKeyNDGFODSFZURPFY-UHFFFAOYSA-N
XLogP2.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-[4-(2-propan-2-yloxyethoxy)phenyl]ethanamine
CID 43285146
N-ethyl-1-(4-hexoxyphenyl)ethanamine
CID 43279274
N-ethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
CID 112587927
N-[2-[4-[1-(ethylamino)ethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 115505631
(1R)-1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine
CID 93007249
1-(2-but-3-ynoxyphenyl)-N-ethylethanamine
CID 60882512
1-[4-(2,2-difluoroethoxy)phenyl]-N-ethylethanamine
CID 60921749
1-but-3-ynoxy-4-propylbenzene
CID 63654834
1-pent-4-ynoxy-4-propan-2-ylbenzene
CID 82363089
N-[(1S)-1-(4-methoxyphenyl)ethyl]but-3-yn-1-amine
CID 81370404
ethane;N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 143132018
N-ethyl-1-[4-(3-pyridin-4-ylpropoxy)phenyl]ethanamine
CID 43285904

Frequently Asked Questions

What is the IUPAC name of 1-(4-but-3-ynoxyphenyl)-N-ethylethanamine?
The IUPAC name of 1-(4-but-3-ynoxyphenyl)-N-ethylethanamine (CID 60880991) is 1-(4-but-3-ynoxyphenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(4-but-3-ynoxyphenyl)-N-ethylethanamine?
The canonical SMILES for 1-(4-but-3-ynoxyphenyl)-N-ethylethanamine is C#CCCOc1ccc(C(C)NCC)cc1.
What is the InChIKey of 1-(4-but-3-ynoxyphenyl)-N-ethylethanamine?
The InChIKey is NDGFODSFZURPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-4-6-11-16-14-9-7-13(8-10-14)12(3)15-5-2/h1,7-10,12,15H,5-6,11H2,2-3H3.
What are the key properties of 1-(4-but-3-ynoxyphenyl)-N-ethylethanamine?
1-(4-but-3-ynoxyphenyl)-N-ethylethanamine has a molecular weight of 217.31 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-but-3-ynoxyphenyl)-N-ethylethanamine is sourced from PubChem (CID 60880991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).