1-[3-(2-aminoethoxy)phenyl]-4-methyl-3-propan-2-ylpent-1-yn-3-ol

C17H25NO2 — CID 25164367

IUPAC1-[3-(2-aminoethoxy)phenyl]-4-methyl-3-propan-2-ylpent-1-yn-3-ol
SMILESCC(C)C(O)(C#Cc1cccc(OCCN)c1)C(C)C
InChIInChI=1S/C17H25NO2/c1-13(2)17(19,14(3)4)9-8-15-6-5-7-16(12-15)20-11-10-18/h5-7,12-14,19H,10-11,18H2,1-4H3
InChIKeyFHADLPBZHHKDKF-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.42
Rot. Bonds5

About 1-[3-(2-aminoethoxy)phenyl]-4-methyl-3-propan-2-ylpent-1-yn-3-ol

1-[3-(2-aminoethoxy)phenyl]-4-methyl-3-propan-2-ylpent-1-yn-3-ol (PubChem CID 25164367) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-[3-(2-aminoethoxy)phenyl]-4-methyl-3-propan-2-ylpent-1-yn-3-ol.

Molecular Properties

Compound Name1-[3-(2-aminoethoxy)phenyl]-4-methyl-3-propan-2-ylpent-1-yn-3-ol
PubChem CID25164367
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-[3-(2-aminoethoxy)phenyl]-4-methyl-3-propan-2-ylpent-1-yn-3-ol
SMILESCC(C)C(O)(C#Cc1cccc(OCCN)c1)C(C)C
InChIInChI=1S/C17H25NO2/c1-13(2)17(19,14(3)4)9-8-15-6-5-7-16(12-15)20-11-10-18/h5-7,12-14,19H,10-11,18H2,1-4H3
InChIKeyFHADLPBZHHKDKF-UHFFFAOYSA-N
XLogP2.42
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-aminoethoxy)phenyl]-4-methyl-3-propan-2-ylpent-1-yn-3-ol?
The IUPAC name of 1-[3-(2-aminoethoxy)phenyl]-4-methyl-3-propan-2-ylpent-1-yn-3-ol (CID 25164367) is 1-[3-(2-aminoethoxy)phenyl]-4-methyl-3-propan-2-ylpent-1-yn-3-ol.
What is the SMILES notation for 1-[3-(2-aminoethoxy)phenyl]-4-methyl-3-propan-2-ylpent-1-yn-3-ol?
The canonical SMILES for 1-[3-(2-aminoethoxy)phenyl]-4-methyl-3-propan-2-ylpent-1-yn-3-ol is CC(C)C(O)(C#Cc1cccc(OCCN)c1)C(C)C.
What is the InChIKey of 1-[3-(2-aminoethoxy)phenyl]-4-methyl-3-propan-2-ylpent-1-yn-3-ol?
The InChIKey is FHADLPBZHHKDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13(2)17(19,14(3)4)9-8-15-6-5-7-16(12-15)20-11-10-18/h5-7,12-14,19H,10-11,18H2,1-4H3.
What are the key properties of 1-[3-(2-aminoethoxy)phenyl]-4-methyl-3-propan-2-ylpent-1-yn-3-ol?
1-[3-(2-aminoethoxy)phenyl]-4-methyl-3-propan-2-ylpent-1-yn-3-ol has a molecular weight of 275.39 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-aminoethoxy)phenyl]-4-methyl-3-propan-2-ylpent-1-yn-3-ol is sourced from PubChem (CID 25164367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).