(S)-(2-ethoxynaphthalen-1-yl)-thiophen-2-ylmethanamine;hydrochloride

C17H18ClNOS — CID 171213408

IUPAC(S)-(2-ethoxynaphthalen-1-yl)-thiophen-2-ylmethanamine;hydrochloride
SMILESCCOc1ccc2ccccc2c1[C@H](N)c1cccs1.Cl
InChIInChI=1S/C17H17NOS.ClH/c1-2-19-14-10-9-12-6-3-4-7-13(12)16(14)17(18)15-8-5-11-20-15;/h3-11,17H,2,18H2,1H3;1H/t17-;/m1./s1
InChIKeyGQZWSFGMNPBVSZ-UNTBIKODSA-N
MW319.86 g/mol
LogP4.77
Rot. Bonds4

About (S)-(2-ethoxynaphthalen-1-yl)-thiophen-2-ylmethanamine;hydrochloride

(S)-(2-ethoxynaphthalen-1-yl)-thiophen-2-ylmethanamine;hydrochloride (PubChem CID 171213408) has the molecular formula C17H18ClNOS and a molecular weight of 319.86 g/mol. Its IUPAC name is (S)-(2-ethoxynaphthalen-1-yl)-thiophen-2-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(S)-(2-ethoxynaphthalen-1-yl)-thiophen-2-ylmethanamine;hydrochloride
PubChem CID171213408
Molecular FormulaC17H18ClNOS
Molecular Weight319.86 g/mol
Exact Mass319.08
IUPAC Name(S)-(2-ethoxynaphthalen-1-yl)-thiophen-2-ylmethanamine;hydrochloride
SMILESCCOc1ccc2ccccc2c1[C@H](N)c1cccs1.Cl
InChIInChI=1S/C17H17NOS.ClH/c1-2-19-14-10-9-12-6-3-4-7-13(12)16(14)17(18)15-8-5-11-20-15;/h3-11,17H,2,18H2,1H3;1H/t17-;/m1./s1
InChIKeyGQZWSFGMNPBVSZ-UNTBIKODSA-N
XLogP4.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.86
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethanamine
CID 171232570
(S)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethanamine
CID 171212951
(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
1-[(R)-amino(thiophen-2-yl)methyl]naphthalen-2-ol
CID 171232072
(1S)-1-(2-ethoxynaphthalen-1-yl)-2,2,2-trifluoroethanamine;hydrochloride
CID 171250833
(3R)-3-amino-3-(2-ethoxynaphthalen-1-yl)propan-1-ol;hydrochloride
CID 171213425
(1R)-1-(2-ethoxynaphthalen-1-yl)-2,2,2-trifluoroethanamine
CID 66512241
(1R)-1-(2-ethoxynaphthalen-1-yl)-3-methylbutan-1-amine
CID 171213389
(1S)-1-(2-ethoxynaphthalen-1-yl)-2,2,2-trifluoroethanamine
CID 66512251

Frequently Asked Questions

What is the IUPAC name of (S)-(2-ethoxynaphthalen-1-yl)-thiophen-2-ylmethanamine;hydrochloride?
The IUPAC name of (S)-(2-ethoxynaphthalen-1-yl)-thiophen-2-ylmethanamine;hydrochloride (CID 171213408) is (S)-(2-ethoxynaphthalen-1-yl)-thiophen-2-ylmethanamine;hydrochloride.
What is the SMILES notation for (S)-(2-ethoxynaphthalen-1-yl)-thiophen-2-ylmethanamine;hydrochloride?
The canonical SMILES for (S)-(2-ethoxynaphthalen-1-yl)-thiophen-2-ylmethanamine;hydrochloride is CCOc1ccc2ccccc2c1[C@H](N)c1cccs1.Cl.
What is the InChIKey of (S)-(2-ethoxynaphthalen-1-yl)-thiophen-2-ylmethanamine;hydrochloride?
The InChIKey is GQZWSFGMNPBVSZ-UNTBIKODSA-N. The full InChI is InChI=1S/C17H17NOS.ClH/c1-2-19-14-10-9-12-6-3-4-7-13(12)16(14)17(18)15-8-5-11-20-15;/h3-11,17H,2,18H2,1H3;1H/t17-;/m1./s1.
What are the key properties of (S)-(2-ethoxynaphthalen-1-yl)-thiophen-2-ylmethanamine;hydrochloride?
(S)-(2-ethoxynaphthalen-1-yl)-thiophen-2-ylmethanamine;hydrochloride has a molecular weight of 319.86 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(2-ethoxynaphthalen-1-yl)-thiophen-2-ylmethanamine;hydrochloride is sourced from PubChem (CID 171213408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).