1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-prop-2-ynoxypropan-2-ol

C16H22FNO3 — CID 24713376

IUPAC1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-prop-2-ynoxypropan-2-ol
SMILESC#CCOCC(O)CN(CCOC)Cc1ccc(F)cc1
InChIInChI=1S/C16H22FNO3/c1-3-9-21-13-16(19)12-18(8-10-20-2)11-14-4-6-15(17)7-5-14/h1,4-7,16,19H,8-13H2,2H3
InChIKeyWVZHRGLRYHRWBC-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.28
Rot. Bonds10

About 1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-prop-2-ynoxypropan-2-ol

1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-prop-2-ynoxypropan-2-ol (PubChem CID 24713376) has the molecular formula C16H22FNO3 and a molecular weight of 295.35 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-prop-2-ynoxypropan-2-ol.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-prop-2-ynoxypropan-2-ol
PubChem CID24713376
Molecular FormulaC16H22FNO3
Molecular Weight295.35 g/mol
Exact Mass295.16
IUPAC Name1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-prop-2-ynoxypropan-2-ol
SMILESC#CCOCC(O)CN(CCOC)Cc1ccc(F)cc1
InChIInChI=1S/C16H22FNO3/c1-3-9-21-13-16(19)12-18(8-10-20-2)11-14-4-6-15(17)7-5-14/h1,4-7,16,19H,8-13H2,2H3
InChIKeyWVZHRGLRYHRWBC-UHFFFAOYSA-N
XLogP1.28
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-prop-2-ynoxypropan-2-ol?
The IUPAC name of 1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-prop-2-ynoxypropan-2-ol (CID 24713376) is 1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-prop-2-ynoxypropan-2-ol.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-prop-2-ynoxypropan-2-ol?
The canonical SMILES for 1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-prop-2-ynoxypropan-2-ol is C#CCOCC(O)CN(CCOC)Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-prop-2-ynoxypropan-2-ol?
The InChIKey is WVZHRGLRYHRWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO3/c1-3-9-21-13-16(19)12-18(8-10-20-2)11-14-4-6-15(17)7-5-14/h1,4-7,16,19H,8-13H2,2H3.
What are the key properties of 1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-prop-2-ynoxypropan-2-ol?
1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-prop-2-ynoxypropan-2-ol has a molecular weight of 295.35 g/mol, XLogP of 1.28, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-prop-2-ynoxypropan-2-ol is sourced from PubChem (CID 24713376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).