(1R)-N-[1-(1-benzothiophen-2-yl)ethyl]-1-(2-methylphenyl)ethanamine

C19H21NS — CID 104982876

IUPAC(1R)-N-[1-(1-benzothiophen-2-yl)ethyl]-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1[C@@H](C)NC(C)c1cc2ccccc2s1
InChIInChI=1S/C19H21NS/c1-13-8-4-6-10-17(13)14(2)20-15(3)19-12-16-9-5-7-11-18(16)21-19/h4-12,14-15,20H,1-3H3/t14-,15?/m1/s1
InChIKeyGIRKOSDRPFWJDX-GICMACPYSA-N
MW295.45 g/mol
LogP5.62
Rot. Bonds4

About (1R)-N-[1-(1-benzothiophen-2-yl)ethyl]-1-(2-methylphenyl)ethanamine

(1R)-N-[1-(1-benzothiophen-2-yl)ethyl]-1-(2-methylphenyl)ethanamine (PubChem CID 104982876) has the molecular formula C19H21NS and a molecular weight of 295.45 g/mol. Its IUPAC name is (1R)-N-[1-(1-benzothiophen-2-yl)ethyl]-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[1-(1-benzothiophen-2-yl)ethyl]-1-(2-methylphenyl)ethanamine
PubChem CID104982876
Molecular FormulaC19H21NS
Molecular Weight295.45 g/mol
Exact Mass295.14
IUPAC Name(1R)-N-[1-(1-benzothiophen-2-yl)ethyl]-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1[C@@H](C)NC(C)c1cc2ccccc2s1
InChIInChI=1S/C19H21NS/c1-13-8-4-6-10-17(13)14(2)20-15(3)19-12-16-9-5-7-11-18(16)21-19/h4-12,14-15,20H,1-3H3/t14-,15?/m1/s1
InChIKeyGIRKOSDRPFWJDX-GICMACPYSA-N
XLogP5.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.45
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[1-(1-benzothiophen-2-yl)ethyl]-1-(2-bromophenyl)ethanamine
CID 104982881
1-(1-benzothiophen-2-yl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine
CID 114909767
N-[1-(1-benzothiophen-2-yl)ethyl]-1-cyclopropylethanamine
CID 113250231
[1-benzothiophen-2-yl-(2-methylphenyl)methyl]hydrazine
CID 105286041
N-[1-(1-benzothiophen-2-yl)ethyl]butan-2-amine
CID 115718240
(1S)-N-[1-(1-benzothiophen-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 104982897
(1S)-N-[1-(1-benzothiophen-2-yl)ethyl]-1-(3-bromophenyl)ethanamine
CID 104982875
1-(1-benzothiophen-2-yl)ethanamine
CID 3904659
1-(1-benzothiophen-2-yl)-N-methoxyethanamine
CID 114910021
1-(1-benzothiophen-2-yl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 114910046
N-[1-(1-benzothiophen-2-yl)ethyl]-3-chloro-4-methylaniline
CID 114909572
N-[1-(1-benzothiophen-2-yl)ethyl]-3-iodo-4-methylaniline
CID 114909749

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[1-(1-benzothiophen-2-yl)ethyl]-1-(2-methylphenyl)ethanamine?
The IUPAC name of (1R)-N-[1-(1-benzothiophen-2-yl)ethyl]-1-(2-methylphenyl)ethanamine (CID 104982876) is (1R)-N-[1-(1-benzothiophen-2-yl)ethyl]-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for (1R)-N-[1-(1-benzothiophen-2-yl)ethyl]-1-(2-methylphenyl)ethanamine?
The canonical SMILES for (1R)-N-[1-(1-benzothiophen-2-yl)ethyl]-1-(2-methylphenyl)ethanamine is Cc1ccccc1[C@@H](C)NC(C)c1cc2ccccc2s1.
What is the InChIKey of (1R)-N-[1-(1-benzothiophen-2-yl)ethyl]-1-(2-methylphenyl)ethanamine?
The InChIKey is GIRKOSDRPFWJDX-GICMACPYSA-N. The full InChI is InChI=1S/C19H21NS/c1-13-8-4-6-10-17(13)14(2)20-15(3)19-12-16-9-5-7-11-18(16)21-19/h4-12,14-15,20H,1-3H3/t14-,15?/m1/s1.
What are the key properties of (1R)-N-[1-(1-benzothiophen-2-yl)ethyl]-1-(2-methylphenyl)ethanamine?
(1R)-N-[1-(1-benzothiophen-2-yl)ethyl]-1-(2-methylphenyl)ethanamine has a molecular weight of 295.45 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[1-(1-benzothiophen-2-yl)ethyl]-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 104982876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).