(2R)-4,4,4-trifluoro-N-[2-(2-methoxynaphthalen-1-yl)ethyl]butan-2-amine

C17H20F3NO — CID 95130442

IUPAC(2R)-4,4,4-trifluoro-N-[2-(2-methoxynaphthalen-1-yl)ethyl]butan-2-amine
SMILESCOc1ccc2ccccc2c1CCN[C@H](C)CC(F)(F)F
InChIInChI=1S/C17H20F3NO/c1-12(11-17(18,19)20)21-10-9-15-14-6-4-3-5-13(14)7-8-16(15)22-2/h3-8,12,21H,9-11H2,1-2H3/t12-/m1/s1
InChIKeyBUVNJYGLCJHOEQ-GFCCVEGCSA-N
MW311.35 g/mol
LogP4.32
Rot. Bonds6

About (2R)-4,4,4-trifluoro-N-[2-(2-methoxynaphthalen-1-yl)ethyl]butan-2-amine

(2R)-4,4,4-trifluoro-N-[2-(2-methoxynaphthalen-1-yl)ethyl]butan-2-amine (PubChem CID 95130442) has the molecular formula C17H20F3NO and a molecular weight of 311.35 g/mol. Its IUPAC name is (2R)-4,4,4-trifluoro-N-[2-(2-methoxynaphthalen-1-yl)ethyl]butan-2-amine.

Molecular Properties

Compound Name(2R)-4,4,4-trifluoro-N-[2-(2-methoxynaphthalen-1-yl)ethyl]butan-2-amine
PubChem CID95130442
Molecular FormulaC17H20F3NO
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC Name(2R)-4,4,4-trifluoro-N-[2-(2-methoxynaphthalen-1-yl)ethyl]butan-2-amine
SMILESCOc1ccc2ccccc2c1CCN[C@H](C)CC(F)(F)F
InChIInChI=1S/C17H20F3NO/c1-12(11-17(18,19)20)21-10-9-15-14-6-4-3-5-13(14)7-8-16(15)22-2/h3-8,12,21H,9-11H2,1-2H3/t12-/m1/s1
InChIKeyBUVNJYGLCJHOEQ-GFCCVEGCSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-methoxy-N-[2-(2-methoxynaphthalen-1-yl)ethyl]propan-2-amine
CID 95127622
3,3,3-trifluoro-N-[(2-methoxynaphthalen-1-yl)methyl]propan-1-amine
CID 63226555
N-[2-(2-methoxynaphthalen-1-yl)ethyl]-2-methylpropan-1-amine
CID 64867903
2,2,2-trifluoro-N-[2-(2-methoxynaphthalen-1-yl)ethyl]acetamide
CID 11779359
N-[(2-methoxynaphthalen-1-yl)methyl]butan-2-amine;hydrochloride
CID 17292334
N-methyl-2-(2-propan-2-yloxynaphthalen-1-yl)ethanamine
CID 82550374
(1R)-3,3,3-trifluoro-1-(2-methoxynaphthalen-1-yl)propan-1-amine;hydrochloride
CID 171212938
N-[(2-methoxynaphthalen-1-yl)methyl]hexan-2-amine
CID 63478488
(2R)-1-(2-methoxynaphthalen-1-yl)propan-2-ol
CID 92532795
N-[(2-methoxynaphthalen-1-yl)methyl]-2-methylbutan-1-amine
CID 62693267
1-[2-[(2-methoxynaphthalen-1-yl)methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17295794
N-[(2-methoxynaphthalen-1-yl)methyl]-2-(2-methylpropoxy)ethanamine
CID 115584591

Frequently Asked Questions

What is the IUPAC name of (2R)-4,4,4-trifluoro-N-[2-(2-methoxynaphthalen-1-yl)ethyl]butan-2-amine?
The IUPAC name of (2R)-4,4,4-trifluoro-N-[2-(2-methoxynaphthalen-1-yl)ethyl]butan-2-amine (CID 95130442) is (2R)-4,4,4-trifluoro-N-[2-(2-methoxynaphthalen-1-yl)ethyl]butan-2-amine.
What is the SMILES notation for (2R)-4,4,4-trifluoro-N-[2-(2-methoxynaphthalen-1-yl)ethyl]butan-2-amine?
The canonical SMILES for (2R)-4,4,4-trifluoro-N-[2-(2-methoxynaphthalen-1-yl)ethyl]butan-2-amine is COc1ccc2ccccc2c1CCN[C@H](C)CC(F)(F)F.
What is the InChIKey of (2R)-4,4,4-trifluoro-N-[2-(2-methoxynaphthalen-1-yl)ethyl]butan-2-amine?
The InChIKey is BUVNJYGLCJHOEQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20F3NO/c1-12(11-17(18,19)20)21-10-9-15-14-6-4-3-5-13(14)7-8-16(15)22-2/h3-8,12,21H,9-11H2,1-2H3/t12-/m1/s1.
What are the key properties of (2R)-4,4,4-trifluoro-N-[2-(2-methoxynaphthalen-1-yl)ethyl]butan-2-amine?
(2R)-4,4,4-trifluoro-N-[2-(2-methoxynaphthalen-1-yl)ethyl]butan-2-amine has a molecular weight of 311.35 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4,4,4-trifluoro-N-[2-(2-methoxynaphthalen-1-yl)ethyl]butan-2-amine is sourced from PubChem (CID 95130442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).