(1R)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-thiophen-2-ylethanamine

C15H18N2S — CID 81398862

IUPAC(1R)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-thiophen-2-ylethanamine
SMILESC[C@@H](NCc1cccc2c1NCC2)c1cccs1
InChIInChI=1S/C15H18N2S/c1-11(14-6-3-9-18-14)17-10-13-5-2-4-12-7-8-16-15(12)13/h2-6,9,11,16-17H,7-8,10H2,1H3/t11-/m1/s1
InChIKeyRIQXDLZYGLSMFV-LLVKDONJSA-N
MW258.39 g/mol
LogP3.57
Rot. Bonds4

About (1R)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-thiophen-2-ylethanamine

(1R)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-thiophen-2-ylethanamine (PubChem CID 81398862) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is (1R)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name(1R)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-thiophen-2-ylethanamine
PubChem CID81398862
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name(1R)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-thiophen-2-ylethanamine
SMILESC[C@@H](NCc1cccc2c1NCC2)c1cccs1
InChIInChI=1S/C15H18N2S/c1-11(14-6-3-9-18-14)17-10-13-5-2-4-12-7-8-16-15(12)13/h2-6,9,11,16-17H,7-8,10H2,1H3/t11-/m1/s1
InChIKeyRIQXDLZYGLSMFV-LLVKDONJSA-N
XLogP3.57
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)ethanamine
CID 80649791
(1S)-1-(4-chlorophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)ethanamine
CID 81352928
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-2-amine
CID 80648504
(1R)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 81382251
2-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]phenol
CID 28683494
(1R)-N-[(2-cyclopropylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81398472
1-(4-fluorophenyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 80648669
(1R)-1-(4-fluorophenyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 81351706
(1S)-N-(naphthalen-1-ylmethyl)-1-thiophen-2-ylethanamine
CID 28683348
N-[(2,3-dichlorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 43182757
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butan-2-amine
CID 80648821
(1R)-1-pyridin-2-yl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 81401362

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-thiophen-2-ylethanamine?
The IUPAC name of (1R)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-thiophen-2-ylethanamine (CID 81398862) is (1R)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-thiophen-2-ylethanamine.
What is the SMILES notation for (1R)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-thiophen-2-ylethanamine?
The canonical SMILES for (1R)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-thiophen-2-ylethanamine is C[C@@H](NCc1cccc2c1NCC2)c1cccs1.
What is the InChIKey of (1R)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-thiophen-2-ylethanamine?
The InChIKey is RIQXDLZYGLSMFV-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18N2S/c1-11(14-6-3-9-18-14)17-10-13-5-2-4-12-7-8-16-15(12)13/h2-6,9,11,16-17H,7-8,10H2,1H3/t11-/m1/s1.
What are the key properties of (1R)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-thiophen-2-ylethanamine?
(1R)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-thiophen-2-ylethanamine has a molecular weight of 258.39 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-thiophen-2-ylethanamine is sourced from PubChem (CID 81398862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).