6-methoxy-N-(2,2,2-trifluoroethyl)naphthalen-2-amine

C13H12F3NO — CID 115257711

IUPAC6-methoxy-N-(2,2,2-trifluoroethyl)naphthalen-2-amine
SMILESCOc1ccc2cc(NCC(F)(F)F)ccc2c1
InChIInChI=1S/C13H12F3NO/c1-18-12-5-3-9-6-11(4-2-10(9)7-12)17-8-13(14,15)16/h2-7,17H,8H2,1H3
InChIKeyACUMNEJLZZMZOM-UHFFFAOYSA-N
MW255.24 g/mol
LogP3.82
Rot. Bonds3

About 6-methoxy-N-(2,2,2-trifluoroethyl)naphthalen-2-amine

6-methoxy-N-(2,2,2-trifluoroethyl)naphthalen-2-amine (PubChem CID 115257711) has the molecular formula C13H12F3NO and a molecular weight of 255.24 g/mol. Its IUPAC name is 6-methoxy-N-(2,2,2-trifluoroethyl)naphthalen-2-amine.

Molecular Properties

Compound Name6-methoxy-N-(2,2,2-trifluoroethyl)naphthalen-2-amine
PubChem CID115257711
Molecular FormulaC13H12F3NO
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC Name6-methoxy-N-(2,2,2-trifluoroethyl)naphthalen-2-amine
SMILESCOc1ccc2cc(NCC(F)(F)F)ccc2c1
InChIInChI=1S/C13H12F3NO/c1-18-12-5-3-9-6-11(4-2-10(9)7-12)17-8-13(14,15)16/h2-7,17H,8H2,1H3
InChIKeyACUMNEJLZZMZOM-UHFFFAOYSA-N
XLogP3.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-N-(2,2,2-trifluoroethyl)aniline
CID 28585897
4-[(6-methoxynaphthalen-2-yl)amino]butan-1-ol
CID 115217433
4-[(6-methoxynaphthalen-2-yl)amino]butan-2-one
CID 115235467
6-methoxy-N-methylnaphthalen-2-amine
CID 20594775
N-cyclopropyl-N'-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine
CID 115206803
4-methoxy-N-[3-[6-[3-(4-methoxyanilino)propoxy]naphthalen-2-yl]oxypropyl]aniline
CID 10096933
N'-(6-methoxynaphthalen-2-yl)-2-methylpropane-1,3-diamine
CID 115198334
6-methoxy-2-(2,2,2-trifluoroethylamino)quinoline-3-carbaldehyde
CID 86669821
2-amino-3-[(6-methoxynaphthalen-2-yl)amino]propan-1-ol
CID 115120355
2-fluoro-3-(4-methoxyanilino)-2-methylpropanoic acid
CID 105484472
1-(4-methoxyphenyl)-3-(2,2,2-trifluoroethyl)thiourea
CID 143565339
2-methoxy-6-[(2-methylpropan-2-yl)oxy]naphthalene
CID 155296690

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(2,2,2-trifluoroethyl)naphthalen-2-amine?
The IUPAC name of 6-methoxy-N-(2,2,2-trifluoroethyl)naphthalen-2-amine (CID 115257711) is 6-methoxy-N-(2,2,2-trifluoroethyl)naphthalen-2-amine.
What is the SMILES notation for 6-methoxy-N-(2,2,2-trifluoroethyl)naphthalen-2-amine?
The canonical SMILES for 6-methoxy-N-(2,2,2-trifluoroethyl)naphthalen-2-amine is COc1ccc2cc(NCC(F)(F)F)ccc2c1.
What is the InChIKey of 6-methoxy-N-(2,2,2-trifluoroethyl)naphthalen-2-amine?
The InChIKey is ACUMNEJLZZMZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO/c1-18-12-5-3-9-6-11(4-2-10(9)7-12)17-8-13(14,15)16/h2-7,17H,8H2,1H3.
What are the key properties of 6-methoxy-N-(2,2,2-trifluoroethyl)naphthalen-2-amine?
6-methoxy-N-(2,2,2-trifluoroethyl)naphthalen-2-amine has a molecular weight of 255.24 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(2,2,2-trifluoroethyl)naphthalen-2-amine is sourced from PubChem (CID 115257711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).