2,2,2-trifluoro-1-methoxy-1-phenanthren-9-ylethanamine

C17H14F3NO — CID 58611151

IUPAC2,2,2-trifluoro-1-methoxy-1-phenanthren-9-ylethanamine
SMILESCOC(N)(c1cc2ccccc2c2ccccc12)C(F)(F)F
InChIInChI=1S/C17H14F3NO/c1-22-16(21,17(18,19)20)15-10-11-6-2-3-7-12(11)13-8-4-5-9-14(13)15/h2-10H,21H2,1H3
InChIKeyGZQLXKFJAUQZFS-UHFFFAOYSA-N
MW305.30 g/mol
LogP4.31
Rot. Bonds2

About 2,2,2-trifluoro-1-methoxy-1-phenanthren-9-ylethanamine

2,2,2-trifluoro-1-methoxy-1-phenanthren-9-ylethanamine (PubChem CID 58611151) has the molecular formula C17H14F3NO and a molecular weight of 305.30 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-methoxy-1-phenanthren-9-ylethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-1-methoxy-1-phenanthren-9-ylethanamine
PubChem CID58611151
Molecular FormulaC17H14F3NO
Molecular Weight305.30 g/mol
Exact Mass305.10
IUPAC Name2,2,2-trifluoro-1-methoxy-1-phenanthren-9-ylethanamine
SMILESCOC(N)(c1cc2ccccc2c2ccccc12)C(F)(F)F
InChIInChI=1S/C17H14F3NO/c1-22-16(21,17(18,19)20)15-10-11-6-2-3-7-12(11)13-8-4-5-9-14(13)15/h2-10H,21H2,1H3
InChIKeyGZQLXKFJAUQZFS-UHFFFAOYSA-N
XLogP4.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

alpha-(Trifluoromethyl)-alpha-methoxynaphthalene-2-methanamine
CID 58611148
9-(2,2,2-Trifluoro-1-methoxyethyl)anthracene
CID 613508
10-Methyl-9-(1-methoxy-2,2,2-trifluor-ethyl) anthracene
CID 85416858
2-(Methoxy(4-(trifluoromethyl)phenyl)methyl)naphthalene
CID 124081654
N-(3,3,3-trifluoro-1-methoxy-1-naphthalen-2-ylpropyl)acetamide
CID 138966445
9-[2,2,2-Trifluoro-1-(R)-methoxyethyl]-anthracene
CID 91735710
N-diphenylphosphoryl-1-ethoxy-2,2,2-trifluoro-1-naphthalen-2-ylethanamine
CID 102386708
1-(4-fluorophenyl)-N-methoxy-3-(2-naphthalen-2-ylethoxy)but-1-en-1-amine
CID 57236429
2,2,2-Trifluoro-1-methoxy-1-(2-phenylphenyl)ethanamine
CID 58611161
7-(1-Methoxyethenyl)-1-(2,4,6-trifluorophenyl)naphthalene
CID 70226161
[4-[2-Fluoro-7-(1-methoxyethenyl)naphthalen-1-yl]cyclohexa-1,3-dien-1-yl]methanamine
CID 70227326
7-(1-Methoxyethenyl)-1-(2,4,5-trifluorophenyl)naphthalene
CID 70228354

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-methoxy-1-phenanthren-9-ylethanamine?
The IUPAC name of 2,2,2-trifluoro-1-methoxy-1-phenanthren-9-ylethanamine (CID 58611151) is 2,2,2-trifluoro-1-methoxy-1-phenanthren-9-ylethanamine.
What is the SMILES notation for 2,2,2-trifluoro-1-methoxy-1-phenanthren-9-ylethanamine?
The canonical SMILES for 2,2,2-trifluoro-1-methoxy-1-phenanthren-9-ylethanamine is COC(N)(c1cc2ccccc2c2ccccc12)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-methoxy-1-phenanthren-9-ylethanamine?
The InChIKey is GZQLXKFJAUQZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO/c1-22-16(21,17(18,19)20)15-10-11-6-2-3-7-12(11)13-8-4-5-9-14(13)15/h2-10H,21H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-methoxy-1-phenanthren-9-ylethanamine?
2,2,2-trifluoro-1-methoxy-1-phenanthren-9-ylethanamine has a molecular weight of 305.30 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-methoxy-1-phenanthren-9-ylethanamine is sourced from PubChem (CID 58611151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).