N-[(6-chloro-1H-indol-3-yl)methyl]-1-thiophen-2-ylethanamine

C15H15ClN2S — CID 78968532

IUPACN-[(6-chloro-1H-indol-3-yl)methyl]-1-thiophen-2-ylethanamine
SMILESCC(NCc1c[nH]c2cc(Cl)ccc12)c1cccs1
InChIInChI=1S/C15H15ClN2S/c1-10(15-3-2-6-19-15)17-8-11-9-18-14-7-12(16)4-5-13(11)14/h2-7,9-10,17-18H,8H2,1H3
InChIKeyZHOMGIHAMKNHPO-UHFFFAOYSA-N
MW290.82 g/mol
LogP4.73
Rot. Bonds4

About N-[(6-chloro-1H-indol-3-yl)methyl]-1-thiophen-2-ylethanamine

N-[(6-chloro-1H-indol-3-yl)methyl]-1-thiophen-2-ylethanamine (PubChem CID 78968532) has the molecular formula C15H15ClN2S and a molecular weight of 290.82 g/mol. Its IUPAC name is N-[(6-chloro-1H-indol-3-yl)methyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[(6-chloro-1H-indol-3-yl)methyl]-1-thiophen-2-ylethanamine
PubChem CID78968532
Molecular FormulaC15H15ClN2S
Molecular Weight290.82 g/mol
Exact Mass290.06
IUPAC NameN-[(6-chloro-1H-indol-3-yl)methyl]-1-thiophen-2-ylethanamine
SMILESCC(NCc1c[nH]c2cc(Cl)ccc12)c1cccs1
InChIInChI=1S/C15H15ClN2S/c1-10(15-3-2-6-19-15)17-8-11-9-18-14-7-12(16)4-5-13(11)14/h2-7,9-10,17-18H,8H2,1H3
InChIKeyZHOMGIHAMKNHPO-UHFFFAOYSA-N
XLogP4.73
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(6-chloro-1H-indol-3-yl)methyl]-1-pyridin-4-ylethanamine
CID 78968571
(1S)-N-[(2-bromo-5-chlorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 81399052
N-[(6-chloro-1H-indol-3-yl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 78968443
N-[(6-chloro-1H-indol-3-yl)methyl]-2-thiophen-2-ylethanamine
CID 78968564
N-[(6-chloro-1H-indol-3-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine
CID 78968459
1-(3-chlorophenyl)-N-(1H-indol-3-ylmethyl)ethanamine
CID 60664434
N-[(6-chloro-1H-indol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 78968616
2-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]phenol
CID 28683494
(1S)-N-(naphthalen-1-ylmethyl)-1-thiophen-2-ylethanamine
CID 28683348
N-[(6-chloro-1H-indol-3-yl)methyl]-2-methoxypropan-1-amine
CID 102695801
3-[(6-chloro-1H-indol-3-yl)methylamino]-2-methylpropan-1-ol
CID 78971605
N-[(2,3-dichlorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 43182757

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1H-indol-3-yl)methyl]-1-thiophen-2-ylethanamine?
The IUPAC name of N-[(6-chloro-1H-indol-3-yl)methyl]-1-thiophen-2-ylethanamine (CID 78968532) is N-[(6-chloro-1H-indol-3-yl)methyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-[(6-chloro-1H-indol-3-yl)methyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for N-[(6-chloro-1H-indol-3-yl)methyl]-1-thiophen-2-ylethanamine is CC(NCc1c[nH]c2cc(Cl)ccc12)c1cccs1.
What is the InChIKey of N-[(6-chloro-1H-indol-3-yl)methyl]-1-thiophen-2-ylethanamine?
The InChIKey is ZHOMGIHAMKNHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2S/c1-10(15-3-2-6-19-15)17-8-11-9-18-14-7-12(16)4-5-13(11)14/h2-7,9-10,17-18H,8H2,1H3.
What are the key properties of N-[(6-chloro-1H-indol-3-yl)methyl]-1-thiophen-2-ylethanamine?
N-[(6-chloro-1H-indol-3-yl)methyl]-1-thiophen-2-ylethanamine has a molecular weight of 290.82 g/mol, XLogP of 4.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1H-indol-3-yl)methyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 78968532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).