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

C14H15ClF3NO — CID 171250833

IUPAC(1S)-1-(2-ethoxynaphthalen-1-yl)-2,2,2-trifluoroethanamine;hydrochloride
SMILESCCOc1ccc2ccccc2c1[C@H](N)C(F)(F)F.Cl
InChIInChI=1S/C14H14F3NO.ClH/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;1H/t13-;/m0./s1
InChIKeyLMMYFCWHYSELNS-ZOWNYOTGSA-N
MW305.73 g/mol
LogP4.22
Rot. Bonds3

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

(1S)-1-(2-ethoxynaphthalen-1-yl)-2,2,2-trifluoroethanamine;hydrochloride (PubChem CID 171250833) has the molecular formula C14H15ClF3NO and a molecular weight of 305.73 g/mol. Its IUPAC name is (1S)-1-(2-ethoxynaphthalen-1-yl)-2,2,2-trifluoroethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(2-ethoxynaphthalen-1-yl)-2,2,2-trifluoroethanamine;hydrochloride
PubChem CID171250833
Molecular FormulaC14H15ClF3NO
Molecular Weight305.73 g/mol
Exact Mass305.08
IUPAC Name(1S)-1-(2-ethoxynaphthalen-1-yl)-2,2,2-trifluoroethanamine;hydrochloride
SMILESCCOc1ccc2ccccc2c1[C@H](N)C(F)(F)F.Cl
InChIInChI=1S/C14H14F3NO.ClH/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;1H/t13-;/m0./s1
InChIKeyLMMYFCWHYSELNS-ZOWNYOTGSA-N
XLogP4.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.73
LogP ≤ 54.22
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
CID 66512251
(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
(1R)-1-(2-ethoxynaphthalen-1-yl)propan-1-amine;hydrochloride
CID 171213379
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)propane-1,3-diamine;hydrochloride
CID 171213373
(3R)-3-amino-3-(2-ethoxynaphthalen-1-yl)propan-1-ol;hydrochloride
CID 171213425
(1R)-1-(2-ethoxynaphthalen-1-yl)-3-methylbutan-1-amine
CID 171213389
(1R)-1-(2-ethoxynaphthalen-1-yl)pentan-1-amine
CID 171213385
(1S)-1-(2-ethoxynaphthalen-1-yl)ethanol
CID 95420561

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-ethoxynaphthalen-1-yl)-2,2,2-trifluoroethanamine;hydrochloride?
The IUPAC name of (1S)-1-(2-ethoxynaphthalen-1-yl)-2,2,2-trifluoroethanamine;hydrochloride (CID 171250833) is (1S)-1-(2-ethoxynaphthalen-1-yl)-2,2,2-trifluoroethanamine;hydrochloride.
What is the SMILES notation for (1S)-1-(2-ethoxynaphthalen-1-yl)-2,2,2-trifluoroethanamine;hydrochloride?
The canonical SMILES for (1S)-1-(2-ethoxynaphthalen-1-yl)-2,2,2-trifluoroethanamine;hydrochloride is CCOc1ccc2ccccc2c1[C@H](N)C(F)(F)F.Cl.
What is the InChIKey of (1S)-1-(2-ethoxynaphthalen-1-yl)-2,2,2-trifluoroethanamine;hydrochloride?
The InChIKey is LMMYFCWHYSELNS-ZOWNYOTGSA-N. The full InChI is InChI=1S/C14H14F3NO.ClH/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;1H/t13-;/m0./s1.
What are the key properties of (1S)-1-(2-ethoxynaphthalen-1-yl)-2,2,2-trifluoroethanamine;hydrochloride?
(1S)-1-(2-ethoxynaphthalen-1-yl)-2,2,2-trifluoroethanamine;hydrochloride has a molecular weight of 305.73 g/mol, XLogP of 4.22, 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;hydrochloride is sourced from PubChem (CID 171250833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).