1-[methyl(prop-2-ynyl)amino]-3-(4-phenylphenoxy)propan-2-ol

C19H21NO2 — CID 73334586

IUPAC1-[methyl(prop-2-ynyl)amino]-3-(4-phenylphenoxy)propan-2-ol
SMILESC#CCN(C)CC(O)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H21NO2/c1-3-13-20(2)14-18(21)15-22-19-11-9-17(10-12-19)16-7-5-4-6-8-16/h1,4-12,18,21H,13-15H2,2H3
InChIKeyPANHOUFATOFIET-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.66
Rot. Bonds7

About 1-[methyl(prop-2-ynyl)amino]-3-(4-phenylphenoxy)propan-2-ol

1-[methyl(prop-2-ynyl)amino]-3-(4-phenylphenoxy)propan-2-ol (PubChem CID 73334586) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-[methyl(prop-2-ynyl)amino]-3-(4-phenylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[methyl(prop-2-ynyl)amino]-3-(4-phenylphenoxy)propan-2-ol
PubChem CID73334586
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name1-[methyl(prop-2-ynyl)amino]-3-(4-phenylphenoxy)propan-2-ol
SMILESC#CCN(C)CC(O)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H21NO2/c1-3-13-20(2)14-18(21)15-22-19-11-9-17(10-12-19)16-7-5-4-6-8-16/h1,4-12,18,21H,13-15H2,2H3
InChIKeyPANHOUFATOFIET-UHFFFAOYSA-N
XLogP2.66
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
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-[methyl(prop-2-ynyl)amino]-3-(4-phenylphenoxy)propan-2-ol?
The IUPAC name of 1-[methyl(prop-2-ynyl)amino]-3-(4-phenylphenoxy)propan-2-ol (CID 73334586) is 1-[methyl(prop-2-ynyl)amino]-3-(4-phenylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[methyl(prop-2-ynyl)amino]-3-(4-phenylphenoxy)propan-2-ol?
The canonical SMILES for 1-[methyl(prop-2-ynyl)amino]-3-(4-phenylphenoxy)propan-2-ol is C#CCN(C)CC(O)COc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-[methyl(prop-2-ynyl)amino]-3-(4-phenylphenoxy)propan-2-ol?
The InChIKey is PANHOUFATOFIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-3-13-20(2)14-18(21)15-22-19-11-9-17(10-12-19)16-7-5-4-6-8-16/h1,4-12,18,21H,13-15H2,2H3.
What are the key properties of 1-[methyl(prop-2-ynyl)amino]-3-(4-phenylphenoxy)propan-2-ol?
1-[methyl(prop-2-ynyl)amino]-3-(4-phenylphenoxy)propan-2-ol has a molecular weight of 295.38 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(prop-2-ynyl)amino]-3-(4-phenylphenoxy)propan-2-ol is sourced from PubChem (CID 73334586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).