1-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydroinden-1-amine

C16H19NS — CID 62622359

IUPAC1-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydroinden-1-amine
SMILESCCc1ccc(CC2(N)CCc3ccccc32)s1
InChIInChI=1S/C16H19NS/c1-2-13-7-8-14(18-13)11-16(17)10-9-12-5-3-4-6-15(12)16/h3-8H,2,9-11,17H2,1H3
InChIKeySVSVGBAYLFTCSM-UHFFFAOYSA-N
MW257.40 g/mol
LogP3.65
Rot. Bonds3

About 1-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydroinden-1-amine

1-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydroinden-1-amine (PubChem CID 62622359) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is 1-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydroinden-1-amine.

Molecular Properties

Compound Name1-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydroinden-1-amine
PubChem CID62622359
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC Name1-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydroinden-1-amine
SMILESCCc1ccc(CC2(N)CCc3ccccc32)s1
InChIInChI=1S/C16H19NS/c1-2-13-7-8-14(18-13)11-16(17)10-9-12-5-3-4-6-15(12)16/h3-8H,2,9-11,17H2,1H3
InChIKeySVSVGBAYLFTCSM-UHFFFAOYSA-N
XLogP3.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydrochromen-4-amine
CID 65406283
2-[(5-ethylthiophen-2-yl)methyl]-1,3-dihydroinden-2-amine
CID 62621424
1-[(4-bromothiophen-2-yl)methyl]-2,3-dihydroinden-1-amine
CID 55096011
2-[(5-ethylthiophen-2-yl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 65146415
1-(2-ethylbutyl)-2,3-dihydroinden-1-amine
CID 82919598
[(1S)-1-amino-2,3-dihydroinden-1-yl]methanol
CID 51892318
1-[(3-chlorothiophen-2-yl)methyl]-2,3-dihydroinden-1-amine
CID 112749484
1-(2-chloroethyl)-2,3-dihydroinden-1-amine
CID 172761296
5-[(4-bromothiophen-2-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 63407551
methyl 2-[(1S)-1-amino-2,3-dihydroinden-1-yl]acetate
CID 134496722
ethyl 2-(1-amino-2,3-dihydroinden-1-yl)acetate
CID 79848288
2,5-diethylthiophene
CID 521294

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydroinden-1-amine?
The IUPAC name of 1-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydroinden-1-amine (CID 62622359) is 1-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydroinden-1-amine.
What is the SMILES notation for 1-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydroinden-1-amine?
The canonical SMILES for 1-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydroinden-1-amine is CCc1ccc(CC2(N)CCc3ccccc32)s1.
What is the InChIKey of 1-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydroinden-1-amine?
The InChIKey is SVSVGBAYLFTCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS/c1-2-13-7-8-14(18-13)11-16(17)10-9-12-5-3-4-6-15(12)16/h3-8H,2,9-11,17H2,1H3.
What are the key properties of 1-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydroinden-1-amine?
1-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydroinden-1-amine has a molecular weight of 257.40 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydroinden-1-amine is sourced from PubChem (CID 62622359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).