(1R)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(2-methylphenyl)ethanamine

C18H21NS — CID 81374444

IUPAC(1R)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1[C@@H](C)NCC1Cc2ccccc2S1
InChIInChI=1S/C18H21NS/c1-13-7-3-5-9-17(13)14(2)19-12-16-11-15-8-4-6-10-18(15)20-16/h3-10,14,16,19H,11-12H2,1-2H3/t14-,16?/m1/s1
InChIKeyHYLFKUOQOYKPON-IURRXHLWSA-N
MW283.44 g/mol
LogP4.36
Rot. Bonds4

About (1R)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(2-methylphenyl)ethanamine

(1R)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(2-methylphenyl)ethanamine (PubChem CID 81374444) has the molecular formula C18H21NS and a molecular weight of 283.44 g/mol. Its IUPAC name is (1R)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(2-methylphenyl)ethanamine
PubChem CID81374444
Molecular FormulaC18H21NS
Molecular Weight283.44 g/mol
Exact Mass283.14
IUPAC Name(1R)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1[C@@H](C)NCC1Cc2ccccc2S1
InChIInChI=1S/C18H21NS/c1-13-7-3-5-9-17(13)14(2)19-12-16-11-15-8-4-6-10-18(15)20-16/h3-10,14,16,19H,11-12H2,1-2H3/t14-,16?/m1/s1
InChIKeyHYLFKUOQOYKPON-IURRXHLWSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(4-methylphenyl)ethanamine
CID 79222243
4-bromo-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)butan-2-amine
CID 83188006
(2S)-2-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)propane-1,2-diamine
CID 104867546
1-chloro-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)propan-2-amine
CID 79224418
(1R)-1-(4-chlorophenyl)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)ethanamine
CID 81353201
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)hexan-2-amine
CID 79223008
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-iodo-3-methylbutan-2-amine
CID 107859499
1-bromo-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylbutan-2-amine
CID 107859245
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-methoxypropan-2-amine
CID 79213714
3-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2-methylphenyl)propan-1-ol
CID 79421193
2-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)propanamide
CID 79214050
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylsulfinylbutan-2-amine
CID 113493468

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(2-methylphenyl)ethanamine?
The IUPAC name of (1R)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(2-methylphenyl)ethanamine (CID 81374444) is (1R)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for (1R)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(2-methylphenyl)ethanamine?
The canonical SMILES for (1R)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(2-methylphenyl)ethanamine is Cc1ccccc1[C@@H](C)NCC1Cc2ccccc2S1.
What is the InChIKey of (1R)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(2-methylphenyl)ethanamine?
The InChIKey is HYLFKUOQOYKPON-IURRXHLWSA-N. The full InChI is InChI=1S/C18H21NS/c1-13-7-3-5-9-17(13)14(2)19-12-16-11-15-8-4-6-10-18(15)20-16/h3-10,14,16,19H,11-12H2,1-2H3/t14-,16?/m1/s1.
What are the key properties of (1R)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(2-methylphenyl)ethanamine?
(1R)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(2-methylphenyl)ethanamine has a molecular weight of 283.44 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 81374444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).