(1S)-1-(2-ethoxynaphthalen-1-yl)-2,2,2-trifluoroethanamine

C14H14F3NO — CID 66512251

IUPAC(1S)-1-(2-ethoxynaphthalen-1-yl)-2,2,2-trifluoroethanamine
SMILESCCOc1ccc2ccccc2c1[C@H](N)C(F)(F)F
InChIInChI=1S/C14H14F3NO/c1-2-19-11-8-7-9-5-3-4-6-10(9)12(11)13(18)14(15,16)17/h3-8,13H,2,18H2,1H3/t13-/m0/s1
InChIKeyIKJULGJJRCZGMW-ZDUSSCGKSA-N
MW269.27 g/mol
LogP3.80
Rot. Bonds3

About (1S)-1-(2-ethoxynaphthalen-1-yl)-2,2,2-trifluoroethanamine

(1S)-1-(2-ethoxynaphthalen-1-yl)-2,2,2-trifluoroethanamine (PubChem CID 66512251) has the molecular formula C14H14F3NO and a molecular weight of 269.27 g/mol. Its IUPAC name is (1S)-1-(2-ethoxynaphthalen-1-yl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name(1S)-1-(2-ethoxynaphthalen-1-yl)-2,2,2-trifluoroethanamine
PubChem CID66512251
Molecular FormulaC14H14F3NO
Molecular Weight269.27 g/mol
Exact Mass269.10
IUPAC Name(1S)-1-(2-ethoxynaphthalen-1-yl)-2,2,2-trifluoroethanamine
SMILESCCOc1ccc2ccccc2c1[C@H](N)C(F)(F)F
InChIInChI=1S/C14H14F3NO/c1-2-19-11-8-7-9-5-3-4-6-10(9)12(11)13(18)14(15,16)17/h3-8,13H,2,18H2,1H3/t13-/m0/s1
InChIKeyIKJULGJJRCZGMW-ZDUSSCGKSA-N
XLogP3.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2-ethoxynaphthalen-1-yl)-2,2,2-trifluoroethanamine
CID 66512241
(1S)-1-(2-ethoxynaphthalen-1-yl)-2,2,2-trifluoroethanamine;hydrochloride
CID 171250833
(1R)-2,2,2-trifluoro-1-(2-methoxynaphthalen-1-yl)ethanamine;hydrochloride
CID 171243950
ethyl (3R)-3-amino-3-(2-ethoxynaphthalen-1-yl)-2,2-difluoropropanoate;hydrochloride
CID 171244101
1-(2-ethoxynaphthalen-1-yl)propan-1-amine
CID 82263032
(1S)-1-(2-ethoxynaphthalen-1-yl)propan-1-amine
CID 95420558
(1R)-1-(2-ethoxynaphthalen-1-yl)propan-1-amine;hydrochloride
CID 171213379
(1R)-1-(2-ethoxynaphthalen-1-yl)-3-methylbutan-1-amine
CID 171213389
(1R)-1-(2-ethoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride
CID 171213373
(1R)-1-(2-ethoxynaphthalen-1-yl)pentan-1-amine
CID 171213385
(1S)-1-(2-ethoxynaphthalen-1-yl)ethanol
CID 95420561
ethyl (3S)-3-amino-3-(2-ethoxynaphthalen-1-yl)-2-fluoropropanoate
CID 171250846

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-ethoxynaphthalen-1-yl)-2,2,2-trifluoroethanamine?
The IUPAC name of (1S)-1-(2-ethoxynaphthalen-1-yl)-2,2,2-trifluoroethanamine (CID 66512251) is (1S)-1-(2-ethoxynaphthalen-1-yl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for (1S)-1-(2-ethoxynaphthalen-1-yl)-2,2,2-trifluoroethanamine?
The canonical SMILES for (1S)-1-(2-ethoxynaphthalen-1-yl)-2,2,2-trifluoroethanamine is CCOc1ccc2ccccc2c1[C@H](N)C(F)(F)F.
What is the InChIKey of (1S)-1-(2-ethoxynaphthalen-1-yl)-2,2,2-trifluoroethanamine?
The InChIKey is IKJULGJJRCZGMW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H14F3NO/c1-2-19-11-8-7-9-5-3-4-6-10(9)12(11)13(18)14(15,16)17/h3-8,13H,2,18H2,1H3/t13-/m0/s1.
What are the key properties of (1S)-1-(2-ethoxynaphthalen-1-yl)-2,2,2-trifluoroethanamine?
(1S)-1-(2-ethoxynaphthalen-1-yl)-2,2,2-trifluoroethanamine has a molecular weight of 269.27 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-ethoxynaphthalen-1-yl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 66512251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).