1-[4-[(2-methoxyethylamino)methyl]-2-(trifluoromethyl)phenoxy]propan-2-ol

C14H20F3NO3 — CID 63320117

IUPAC1-[4-[(2-methoxyethylamino)methyl]-2-(trifluoromethyl)phenoxy]propan-2-ol
SMILESCOCCNCc1ccc(OCC(C)O)c(C(F)(F)F)c1
InChIInChI=1S/C14H20F3NO3/c1-10(19)9-21-13-4-3-11(8-18-5-6-20-2)7-12(13)14(15,16)17/h3-4,7,10,18-19H,5-6,8-9H2,1-2H3
InChIKeyUZAKGNRKEZPFSK-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.20
Rot. Bonds8

About 1-[4-[(2-methoxyethylamino)methyl]-2-(trifluoromethyl)phenoxy]propan-2-ol

1-[4-[(2-methoxyethylamino)methyl]-2-(trifluoromethyl)phenoxy]propan-2-ol (PubChem CID 63320117) has the molecular formula C14H20F3NO3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 1-[4-[(2-methoxyethylamino)methyl]-2-(trifluoromethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[4-[(2-methoxyethylamino)methyl]-2-(trifluoromethyl)phenoxy]propan-2-ol
PubChem CID63320117
Molecular FormulaC14H20F3NO3
Molecular Weight307.31 g/mol
Exact Mass307.14
IUPAC Name1-[4-[(2-methoxyethylamino)methyl]-2-(trifluoromethyl)phenoxy]propan-2-ol
SMILESCOCCNCc1ccc(OCC(C)O)c(C(F)(F)F)c1
InChIInChI=1S/C14H20F3NO3/c1-10(19)9-21-13-4-3-11(8-18-5-6-20-2)7-12(13)14(15,16)17/h3-4,7,10,18-19H,5-6,8-9H2,1-2H3
InChIKeyUZAKGNRKEZPFSK-UHFFFAOYSA-N
XLogP2.20
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.20
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

N-[[4-ethoxy-3-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine
CID 63320023
N-[[4-butoxy-3-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine
CID 63320255
N-[[4-butan-2-yloxy-3-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine
CID 63320254
2-methoxy-N-[[4-(2-methylprop-2-enoxy)-3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 63319465
N-[[4-but-3-en-2-yloxy-3-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine
CID 63319979
N-[[4-but-3-ynoxy-3-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine
CID 63320118
1-[4-[(cyclopropylamino)methyl]-2-(trifluoromethyl)phenoxy]propan-2-ol
CID 63319679
3-[2-chloro-4-[(2-methoxyethylamino)methyl]phenoxy]-1,1,1-trifluoropropan-2-ol
CID 63899405
N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine
CID 107288905
2-methoxy-N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]ethanamine
CID 39366584
1-[4-methoxy-3-(trifluoromethyl)phenyl]propan-2-ol
CID 117339948
1-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]propan-2-ol
CID 55146071

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methoxyethylamino)methyl]-2-(trifluoromethyl)phenoxy]propan-2-ol?
The IUPAC name of 1-[4-[(2-methoxyethylamino)methyl]-2-(trifluoromethyl)phenoxy]propan-2-ol (CID 63320117) is 1-[4-[(2-methoxyethylamino)methyl]-2-(trifluoromethyl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-[4-[(2-methoxyethylamino)methyl]-2-(trifluoromethyl)phenoxy]propan-2-ol?
The canonical SMILES for 1-[4-[(2-methoxyethylamino)methyl]-2-(trifluoromethyl)phenoxy]propan-2-ol is COCCNCc1ccc(OCC(C)O)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-[(2-methoxyethylamino)methyl]-2-(trifluoromethyl)phenoxy]propan-2-ol?
The InChIKey is UZAKGNRKEZPFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO3/c1-10(19)9-21-13-4-3-11(8-18-5-6-20-2)7-12(13)14(15,16)17/h3-4,7,10,18-19H,5-6,8-9H2,1-2H3.
What are the key properties of 1-[4-[(2-methoxyethylamino)methyl]-2-(trifluoromethyl)phenoxy]propan-2-ol?
1-[4-[(2-methoxyethylamino)methyl]-2-(trifluoromethyl)phenoxy]propan-2-ol has a molecular weight of 307.31 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-methoxyethylamino)methyl]-2-(trifluoromethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 63320117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).