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

C14H14ClNS — CID 112749484

IUPAC1-[(3-chlorothiophen-2-yl)methyl]-2,3-dihydroinden-1-amine
SMILESNC1(Cc2sccc2Cl)CCc2ccccc21
InChIInChI=1S/C14H14ClNS/c15-12-6-8-17-13(12)9-14(16)7-5-10-3-1-2-4-11(10)14/h1-4,6,8H,5,7,9,16H2
InChIKeyACRSJJIENBJYRW-UHFFFAOYSA-N
MW263.79 g/mol
LogP3.74
Rot. Bonds2

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

1-[(3-chlorothiophen-2-yl)methyl]-2,3-dihydroinden-1-amine (PubChem CID 112749484) has the molecular formula C14H14ClNS and a molecular weight of 263.79 g/mol. Its IUPAC name is 1-[(3-chlorothiophen-2-yl)methyl]-2,3-dihydroinden-1-amine.

Molecular Properties

Compound Name1-[(3-chlorothiophen-2-yl)methyl]-2,3-dihydroinden-1-amine
PubChem CID112749484
Molecular FormulaC14H14ClNS
Molecular Weight263.79 g/mol
Exact Mass263.05
IUPAC Name1-[(3-chlorothiophen-2-yl)methyl]-2,3-dihydroinden-1-amine
SMILESNC1(Cc2sccc2Cl)CCc2ccccc21
InChIInChI=1S/C14H14ClNS/c15-12-6-8-17-13(12)9-14(16)7-5-10-3-1-2-4-11(10)14/h1-4,6,8H,5,7,9,16H2
InChIKeyACRSJJIENBJYRW-UHFFFAOYSA-N
XLogP3.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.79
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-bromothiophen-2-yl)methyl]-2,3-dihydroinden-1-amine
CID 55096011
1-(2-chloroethyl)-2,3-dihydroinden-1-amine
CID 172761296
4-[(3-chlorothiophen-2-yl)methyl]oxan-4-amine
CID 130534472
[(1S)-1-amino-2,3-dihydroinden-1-yl]methanol
CID 51892318
1-[(4-chloro-2-fluorophenyl)methyl]-2,3-dihydroinden-1-amine
CID 114853430
1-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydroinden-1-amine
CID 62622359
1-[(4-chloro-2-nitrophenyl)methyl]-2,3-dihydroinden-1-amine
CID 65406091
5-[(4-bromothiophen-2-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 63407551
1-[(4-nitrophenyl)methyl]-2,3-dihydroinden-1-amine
CID 65406090
5-[(3-chloro-4-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 103039214
1-(2-ethylbutyl)-2,3-dihydroinden-1-amine
CID 82919598
1-(3-chlorothiophen-2-yl)-3,4-dihydro-2H-naphthalen-1-ol
CID 107358956

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorothiophen-2-yl)methyl]-2,3-dihydroinden-1-amine?
The IUPAC name of 1-[(3-chlorothiophen-2-yl)methyl]-2,3-dihydroinden-1-amine (CID 112749484) is 1-[(3-chlorothiophen-2-yl)methyl]-2,3-dihydroinden-1-amine.
What is the SMILES notation for 1-[(3-chlorothiophen-2-yl)methyl]-2,3-dihydroinden-1-amine?
The canonical SMILES for 1-[(3-chlorothiophen-2-yl)methyl]-2,3-dihydroinden-1-amine is NC1(Cc2sccc2Cl)CCc2ccccc21.
What is the InChIKey of 1-[(3-chlorothiophen-2-yl)methyl]-2,3-dihydroinden-1-amine?
The InChIKey is ACRSJJIENBJYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNS/c15-12-6-8-17-13(12)9-14(16)7-5-10-3-1-2-4-11(10)14/h1-4,6,8H,5,7,9,16H2.
What are the key properties of 1-[(3-chlorothiophen-2-yl)methyl]-2,3-dihydroinden-1-amine?
1-[(3-chlorothiophen-2-yl)methyl]-2,3-dihydroinden-1-amine has a molecular weight of 263.79 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorothiophen-2-yl)methyl]-2,3-dihydroinden-1-amine is sourced from PubChem (CID 112749484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).