2,2-difluoro-3-[2-(4-methoxyphenoxy)ethylamino]propan-1-ol

C12H17F2NO3 — CID 106176853

IUPAC2,2-difluoro-3-[2-(4-methoxyphenoxy)ethylamino]propan-1-ol
SMILESCOc1ccc(OCCNCC(F)(F)CO)cc1
InChIInChI=1S/C12H17F2NO3/c1-17-10-2-4-11(5-3-10)18-7-6-15-8-12(13,14)9-16/h2-5,15-16H,6-9H2,1H3
InChIKeyGHNFUNCHXNADPP-UHFFFAOYSA-N
MW261.27 g/mol
LogP1.29
Rot. Bonds8

About 2,2-difluoro-3-[2-(4-methoxyphenoxy)ethylamino]propan-1-ol

2,2-difluoro-3-[2-(4-methoxyphenoxy)ethylamino]propan-1-ol (PubChem CID 106176853) has the molecular formula C12H17F2NO3 and a molecular weight of 261.27 g/mol. Its IUPAC name is 2,2-difluoro-3-[2-(4-methoxyphenoxy)ethylamino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[2-(4-methoxyphenoxy)ethylamino]propan-1-ol
PubChem CID106176853
Molecular FormulaC12H17F2NO3
Molecular Weight261.27 g/mol
Exact Mass261.12
IUPAC Name2,2-difluoro-3-[2-(4-methoxyphenoxy)ethylamino]propan-1-ol
SMILESCOc1ccc(OCCNCC(F)(F)CO)cc1
InChIInChI=1S/C12H17F2NO3/c1-17-10-2-4-11(5-3-10)18-7-6-15-8-12(13,14)9-16/h2-5,15-16H,6-9H2,1H3
InChIKeyGHNFUNCHXNADPP-UHFFFAOYSA-N
XLogP1.29
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3-tetrafluoro-N-[2-(4-methoxyphenoxy)ethyl]propan-1-amine
CID 106292101
1-[2-(4-methoxyphenoxy)ethylamino]-2-methylpropane-2-thiol
CID 13049074
N'-(1-hydroxy-2-methylpropan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide
CID 108531227
5-chloro-N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpentan-1-amine
CID 106141180
2-ethyl-2-[2-(4-methoxyphenoxy)ethylamino]propane-1,3-diol
CID 107865381
2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 39388259
N-(2-methoxyethyl)-3-(4-methoxyphenoxy)propan-1-amine
CID 60683313
4-[2-(4-methoxyanilino)ethoxy]phenol
CID 71735773
N-[2-(4-methoxyphenoxy)ethyl]-3-methylbut-2-en-1-amine
CID 103604210
3-[2-(4-bromophenoxy)ethylamino]-2,2-dimethylpropan-1-ol
CID 113293890
N-(2,2-difluoro-3-hydroxypropyl)-4-methoxybenzamide
CID 104857865
3-[(3,5-dimethoxyphenyl)methylamino]-2,2-difluoropropan-1-ol
CID 113462705

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[2-(4-methoxyphenoxy)ethylamino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[2-(4-methoxyphenoxy)ethylamino]propan-1-ol (CID 106176853) is 2,2-difluoro-3-[2-(4-methoxyphenoxy)ethylamino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[2-(4-methoxyphenoxy)ethylamino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[2-(4-methoxyphenoxy)ethylamino]propan-1-ol is COc1ccc(OCCNCC(F)(F)CO)cc1.
What is the InChIKey of 2,2-difluoro-3-[2-(4-methoxyphenoxy)ethylamino]propan-1-ol?
The InChIKey is GHNFUNCHXNADPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO3/c1-17-10-2-4-11(5-3-10)18-7-6-15-8-12(13,14)9-16/h2-5,15-16H,6-9H2,1H3.
What are the key properties of 2,2-difluoro-3-[2-(4-methoxyphenoxy)ethylamino]propan-1-ol?
2,2-difluoro-3-[2-(4-methoxyphenoxy)ethylamino]propan-1-ol has a molecular weight of 261.27 g/mol, XLogP of 1.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[2-(4-methoxyphenoxy)ethylamino]propan-1-ol is sourced from PubChem (CID 106176853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).