(1S)-N-(naphthalen-1-ylmethyl)-1-thiophen-2-ylethanamine

C17H17NS — CID 28683348

IUPAC(1S)-N-(naphthalen-1-ylmethyl)-1-thiophen-2-ylethanamine
SMILESC[C@H](NCc1cccc2ccccc12)c1cccs1
InChIInChI=1S/C17H17NS/c1-13(17-10-5-11-19-17)18-12-15-8-4-7-14-6-2-3-9-16(14)15/h2-11,13,18H,12H2,1H3/t13-/m0/s1
InChIKeyKONHOBHBFGKAHK-ZDUSSCGKSA-N
MW267.40 g/mol
LogP4.75
Rot. Bonds4

About (1S)-N-(naphthalen-1-ylmethyl)-1-thiophen-2-ylethanamine

(1S)-N-(naphthalen-1-ylmethyl)-1-thiophen-2-ylethanamine (PubChem CID 28683348) has the molecular formula C17H17NS and a molecular weight of 267.40 g/mol. Its IUPAC name is (1S)-N-(naphthalen-1-ylmethyl)-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name(1S)-N-(naphthalen-1-ylmethyl)-1-thiophen-2-ylethanamine
PubChem CID28683348
Molecular FormulaC17H17NS
Molecular Weight267.40 g/mol
Exact Mass267.11
IUPAC Name(1S)-N-(naphthalen-1-ylmethyl)-1-thiophen-2-ylethanamine
SMILESC[C@H](NCc1cccc2ccccc12)c1cccs1
InChIInChI=1S/C17H17NS/c1-13(17-10-5-11-19-17)18-12-15-8-4-7-14-6-2-3-9-16(14)15/h2-11,13,18H,12H2,1H3/t13-/m0/s1
InChIKeyKONHOBHBFGKAHK-ZDUSSCGKSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]phenol
CID 28683494
N-[(2-fluorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 43178818
(1S)-N-[(2-methylquinolin-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398233
N-[(2,3-dichlorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 43182757
1-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]naphthalen-2-ol
CID 28683496
1-(5-ethylthiophen-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 62369422
2-methyl-6-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]phenol
CID 103940711
(1R)-N-[(2-cyclopropylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81398472
2-[(1-thiophen-2-ylethylamino)methyl]benzonitrile
CID 43401659
N-benzyl-1-thiophen-2-ylethanamine
CID 43177509
methyl 2-[2-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]phenyl]acetate
CID 115462252
(1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine
CID 28668621

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(naphthalen-1-ylmethyl)-1-thiophen-2-ylethanamine?
The IUPAC name of (1S)-N-(naphthalen-1-ylmethyl)-1-thiophen-2-ylethanamine (CID 28683348) is (1S)-N-(naphthalen-1-ylmethyl)-1-thiophen-2-ylethanamine.
What is the SMILES notation for (1S)-N-(naphthalen-1-ylmethyl)-1-thiophen-2-ylethanamine?
The canonical SMILES for (1S)-N-(naphthalen-1-ylmethyl)-1-thiophen-2-ylethanamine is C[C@H](NCc1cccc2ccccc12)c1cccs1.
What is the InChIKey of (1S)-N-(naphthalen-1-ylmethyl)-1-thiophen-2-ylethanamine?
The InChIKey is KONHOBHBFGKAHK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H17NS/c1-13(17-10-5-11-19-17)18-12-15-8-4-7-14-6-2-3-9-16(14)15/h2-11,13,18H,12H2,1H3/t13-/m0/s1.
What are the key properties of (1S)-N-(naphthalen-1-ylmethyl)-1-thiophen-2-ylethanamine?
(1S)-N-(naphthalen-1-ylmethyl)-1-thiophen-2-ylethanamine has a molecular weight of 267.40 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(naphthalen-1-ylmethyl)-1-thiophen-2-ylethanamine is sourced from PubChem (CID 28683348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).