2-naphthalen-1-yl-2-(thiophen-2-ylmethylamino)ethanol

C17H17NOS — CID 61054191

IUPAC2-naphthalen-1-yl-2-(thiophen-2-ylmethylamino)ethanol
SMILESOCC(NCc1cccs1)c1cccc2ccccc12
InChIInChI=1S/C17H17NOS/c19-12-17(18-11-14-7-4-10-20-14)16-9-3-6-13-5-1-2-8-15(13)16/h1-10,17-19H,11-12H2
InChIKeyNTCAUCZIGKMTTP-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.72
Rot. Bonds5

About 2-naphthalen-1-yl-2-(thiophen-2-ylmethylamino)ethanol

2-naphthalen-1-yl-2-(thiophen-2-ylmethylamino)ethanol (PubChem CID 61054191) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-naphthalen-1-yl-2-(thiophen-2-ylmethylamino)ethanol.

Molecular Properties

Compound Name2-naphthalen-1-yl-2-(thiophen-2-ylmethylamino)ethanol
PubChem CID61054191
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Name2-naphthalen-1-yl-2-(thiophen-2-ylmethylamino)ethanol
SMILESOCC(NCc1cccs1)c1cccc2ccccc12
InChIInChI=1S/C17H17NOS/c19-12-17(18-11-14-7-4-10-20-14)16-9-3-6-13-5-1-2-8-15(13)16/h1-10,17-19H,11-12H2
InChIKeyNTCAUCZIGKMTTP-UHFFFAOYSA-N
XLogP3.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dichlorophenyl)-2-(thiophen-2-ylmethylamino)ethanol
CID 61055196
N-ethyl-1-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine
CID 63776349
4-[2-hydroxy-1-(thiophen-2-ylmethylamino)ethyl]phenol
CID 61054801
2-(iodoamino)-2-naphthalen-1-ylethanol
CID 88639015
N,N'-bis(2-hydroxy-1-naphthalen-1-ylethyl)oxamide
CID 23140892
2-(thiophen-2-ylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 61056618
1-naphthalen-1-yl-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17289837
amino-(thiophen-2-ylmethylamino)methanol
CID 138478180
2-(2-methylquinolin-6-yl)-2-(thiophen-2-ylmethylamino)ethanol
CID 105379249
2-[1-(2-thiophen-2-ylethylamino)ethyl]naphthalen-1-ol
CID 43195167
1,2-diphenyl-N-(thiophen-2-ylmethyl)ethanamine
CID 43079612
1-(3-chloro-2-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 114487950

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-2-(thiophen-2-ylmethylamino)ethanol?
The IUPAC name of 2-naphthalen-1-yl-2-(thiophen-2-ylmethylamino)ethanol (CID 61054191) is 2-naphthalen-1-yl-2-(thiophen-2-ylmethylamino)ethanol.
What is the SMILES notation for 2-naphthalen-1-yl-2-(thiophen-2-ylmethylamino)ethanol?
The canonical SMILES for 2-naphthalen-1-yl-2-(thiophen-2-ylmethylamino)ethanol is OCC(NCc1cccs1)c1cccc2ccccc12.
What is the InChIKey of 2-naphthalen-1-yl-2-(thiophen-2-ylmethylamino)ethanol?
The InChIKey is NTCAUCZIGKMTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c19-12-17(18-11-14-7-4-10-20-14)16-9-3-6-13-5-1-2-8-15(13)16/h1-10,17-19H,11-12H2.
What are the key properties of 2-naphthalen-1-yl-2-(thiophen-2-ylmethylamino)ethanol?
2-naphthalen-1-yl-2-(thiophen-2-ylmethylamino)ethanol has a molecular weight of 283.40 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-2-(thiophen-2-ylmethylamino)ethanol is sourced from PubChem (CID 61054191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).