N-[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]ethanamine

C16H19NS — CID 43416858

IUPACN-[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc2c(c1)CCC2)c1cccs1
InChIInChI=1S/C16H19NS/c1-2-17-16(15-7-4-10-18-15)14-9-8-12-5-3-6-13(12)11-14/h4,7-11,16-17H,2-3,5-6H2,1H3
InChIKeyJVRGDUJSUVCVFB-UHFFFAOYSA-N
MW257.40 g/mol
LogP3.94
Rot. Bonds4

About N-[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]ethanamine

N-[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]ethanamine (PubChem CID 43416858) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is N-[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]ethanamine
PubChem CID43416858
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC NameN-[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc2c(c1)CCC2)c1cccs1
InChIInChI=1S/C16H19NS/c1-2-17-16(15-7-4-10-18-15)14-9-8-12-5-3-6-13(12)11-14/h4,7-11,16-17H,2-3,5-6H2,1H3
InChIKeyJVRGDUJSUVCVFB-UHFFFAOYSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine
CID 43491715
4-[[[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]amino]methyl]phenol
CID 42924851
N-[2,3-dihydro-1H-inden-5-yl-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 43488394
N-[2,3-dihydro-1H-inden-5-yl(furan-2-yl)methyl]ethanamine
CID 43491712
N-[(2,4-difluorophenyl)methyl]-1-(2,3-dihydro-1H-inden-5-yl)-1-thiophen-2-ylmethanamine
CID 42924852
1-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]-3-methylthiourea
CID 92534650
N-[(4-chlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine
CID 43488967
N-[1,3-dihydro-2-benzofuran-5-yl(thiophen-2-yl)methyl]propan-1-amine
CID 63020418
N-[2,3-dihydro-1H-inden-5-yl-(2-methoxyphenyl)methyl]ethanamine
CID 43491773
N-[(4-propylphenyl)-thiophen-2-ylmethyl]ethanamine
CID 43393768
N-[(4-phenylphenyl)-thiophen-2-ylmethyl]ethanamine
CID 43489570
2-[[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 17392078

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]ethanamine (CID 43416858) is N-[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]ethanamine is CCNC(c1ccc2c(c1)CCC2)c1cccs1.
What is the InChIKey of N-[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]ethanamine?
The InChIKey is JVRGDUJSUVCVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS/c1-2-17-16(15-7-4-10-18-15)14-9-8-12-5-3-6-13(12)11-14/h4,7-11,16-17H,2-3,5-6H2,1H3.
What are the key properties of N-[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]ethanamine?
N-[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]ethanamine has a molecular weight of 257.40 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 43416858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).