(2S)-N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)-2-thiophen-2-ylethanamine

C21H19FN2S — CID 97014263

IUPAC(2S)-N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)-2-thiophen-2-ylethanamine
SMILESFc1ccccc1CNC[C@@H](c1cccs1)c1c[nH]c2ccccc12
InChIInChI=1S/C21H19FN2S/c22-19-8-3-1-6-15(19)12-23-13-18(21-10-5-11-25-21)17-14-24-20-9-4-2-7-16(17)20/h1-11,14,18,23-24H,12-13H2/t18-/m1/s1
InChIKeyMNQAKYBMDYFJEE-GOSISDBHSA-N
MW350.46 g/mol
LogP5.29
Rot. Bonds6

About (2S)-N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)-2-thiophen-2-ylethanamine

(2S)-N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)-2-thiophen-2-ylethanamine (PubChem CID 97014263) has the molecular formula C21H19FN2S and a molecular weight of 350.46 g/mol. Its IUPAC name is (2S)-N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name(2S)-N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)-2-thiophen-2-ylethanamine
PubChem CID97014263
Molecular FormulaC21H19FN2S
Molecular Weight350.46 g/mol
Exact Mass350.13
IUPAC Name(2S)-N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)-2-thiophen-2-ylethanamine
SMILESFc1ccccc1CNC[C@@H](c1cccs1)c1c[nH]c2ccccc12
InChIInChI=1S/C21H19FN2S/c22-19-8-3-1-6-15(19)12-23-13-18(21-10-5-11-25-21)17-14-24-20-9-4-2-7-16(17)20/h1-11,14,18,23-24H,12-13H2/t18-/m1/s1
InChIKeyMNQAKYBMDYFJEE-GOSISDBHSA-N
XLogP5.29
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.46
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-3-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]urea
CID 24588097
2,6-difluoro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide
CID 42904645
[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium
CID 2113395
2-(1H-indol-3-yl)-N-[(3-pyridin-2-yl-1H-pyrazol-5-yl)methyl]-2-thiophen-2-ylethanamine
CID 167913134
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 42904642
(2S)-N-(4-fluorophenyl)-2-[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]propanamide
CID 8645674
2-(4-bromophenyl)-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 27770907
(4R)-4-(1H-indol-3-yl)-4-thiophen-2-ylbutan-2-one
CID 102274489
1-[1-(4-fluorophenyl)ethyl]-3-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-1-methylurea
CID 55472337
4-N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzene-1,4-disulfonamide
CID 40818667
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 55329238
N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 26729750

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)-2-thiophen-2-ylethanamine?
The IUPAC name of (2S)-N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)-2-thiophen-2-ylethanamine (CID 97014263) is (2S)-N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)-2-thiophen-2-ylethanamine.
What is the SMILES notation for (2S)-N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)-2-thiophen-2-ylethanamine?
The canonical SMILES for (2S)-N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)-2-thiophen-2-ylethanamine is Fc1ccccc1CNC[C@@H](c1cccs1)c1c[nH]c2ccccc12.
What is the InChIKey of (2S)-N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)-2-thiophen-2-ylethanamine?
The InChIKey is MNQAKYBMDYFJEE-GOSISDBHSA-N. The full InChI is InChI=1S/C21H19FN2S/c22-19-8-3-1-6-15(19)12-23-13-18(21-10-5-11-25-21)17-14-24-20-9-4-2-7-16(17)20/h1-11,14,18,23-24H,12-13H2/t18-/m1/s1.
What are the key properties of (2S)-N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)-2-thiophen-2-ylethanamine?
(2S)-N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)-2-thiophen-2-ylethanamine has a molecular weight of 350.46 g/mol, XLogP of 5.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)-2-thiophen-2-ylethanamine is sourced from PubChem (CID 97014263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).