N-[(3-ethylthiophen-2-yl)methyl]-1-(1H-indol-6-yl)methanamine

C16H18N2S — CID 102911461

IUPACN-[(3-ethylthiophen-2-yl)methyl]-1-(1H-indol-6-yl)methanamine
SMILESCCc1ccsc1CNCc1ccc2cc[nH]c2c1
InChIInChI=1S/C16H18N2S/c1-2-13-6-8-19-16(13)11-17-10-12-3-4-14-5-7-18-15(14)9-12/h3-9,17-18H,2,10-11H2,1H3
InChIKeyJXXVSLTVCNWJPO-UHFFFAOYSA-N
MW270.40 g/mol
LogP4.08
Rot. Bonds5

About N-[(3-ethylthiophen-2-yl)methyl]-1-(1H-indol-6-yl)methanamine

N-[(3-ethylthiophen-2-yl)methyl]-1-(1H-indol-6-yl)methanamine (PubChem CID 102911461) has the molecular formula C16H18N2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-[(3-ethylthiophen-2-yl)methyl]-1-(1H-indol-6-yl)methanamine.

Molecular Properties

Compound NameN-[(3-ethylthiophen-2-yl)methyl]-1-(1H-indol-6-yl)methanamine
PubChem CID102911461
Molecular FormulaC16H18N2S
Molecular Weight270.40 g/mol
Exact Mass270.12
IUPAC NameN-[(3-ethylthiophen-2-yl)methyl]-1-(1H-indol-6-yl)methanamine
SMILESCCc1ccsc1CNCc1ccc2cc[nH]c2c1
InChIInChI=1S/C16H18N2S/c1-2-13-6-8-19-16(13)11-17-10-12-3-4-14-5-7-18-15(14)9-12/h3-9,17-18H,2,10-11H2,1H3
InChIKeyJXXVSLTVCNWJPO-UHFFFAOYSA-N
XLogP4.08
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylthiophen-2-yl)methyl]-1-(1H-indol-6-yl)methanamine?
The IUPAC name of N-[(3-ethylthiophen-2-yl)methyl]-1-(1H-indol-6-yl)methanamine (CID 102911461) is N-[(3-ethylthiophen-2-yl)methyl]-1-(1H-indol-6-yl)methanamine.
What is the SMILES notation for N-[(3-ethylthiophen-2-yl)methyl]-1-(1H-indol-6-yl)methanamine?
The canonical SMILES for N-[(3-ethylthiophen-2-yl)methyl]-1-(1H-indol-6-yl)methanamine is CCc1ccsc1CNCc1ccc2cc[nH]c2c1.
What is the InChIKey of N-[(3-ethylthiophen-2-yl)methyl]-1-(1H-indol-6-yl)methanamine?
The InChIKey is JXXVSLTVCNWJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2S/c1-2-13-6-8-19-16(13)11-17-10-12-3-4-14-5-7-18-15(14)9-12/h3-9,17-18H,2,10-11H2,1H3.
What are the key properties of N-[(3-ethylthiophen-2-yl)methyl]-1-(1H-indol-6-yl)methanamine?
N-[(3-ethylthiophen-2-yl)methyl]-1-(1H-indol-6-yl)methanamine has a molecular weight of 270.40 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylthiophen-2-yl)methyl]-1-(1H-indol-6-yl)methanamine is sourced from PubChem (CID 102911461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).