1-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine

C14H14ClNS — CID 54132568

IUPAC1-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine
SMILESNC1Cc2ccccc2C1Cc1ccc(Cl)s1
InChIInChI=1S/C14H14ClNS/c15-14-6-5-10(17-14)8-12-11-4-2-1-3-9(11)7-13(12)16/h1-6,12-13H,7-8,16H2
InChIKeyNVJKUBSECGBEFJ-UHFFFAOYSA-N
MW263.79 g/mol
LogP3.61
Rot. Bonds2

About 1-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine

1-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 54132568) has the molecular formula C14H14ClNS and a molecular weight of 263.79 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name1-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID54132568
Molecular FormulaC14H14ClNS
Molecular Weight263.79 g/mol
Exact Mass263.05
IUPAC Name1-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine
SMILESNC1Cc2ccccc2C1Cc1ccc(Cl)s1
InChIInChI=1S/C14H14ClNS/c15-14-6-5-10(17-14)8-12-11-4-2-1-3-9(11)7-13(12)16/h1-6,12-13H,7-8,16H2
InChIKeyNVJKUBSECGBEFJ-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[1-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydro-1H-inden-2-yl]-N-methylcarbamate
CID 23202970
1-[(4-benzylphenyl)methyl]-2,3-dihydro-1H-inden-2-amine;hydrochloride
CID 70058981
(1R)-1-propyl-2,3-dihydro-1H-inden-2-amine
CID 143271430
2,3-dihydro-1H-indene-1,2-diamine
CID 10986398
2-[(5-chlorothiophen-2-yl)methyl]-4-phenylcyclohexan-1-amine
CID 63401279
2-[(1-chloro-2,3-dihydro-1H-inden-2-yl)methyl]-5-ethylthiophene
CID 63460569
[2-[(5-chlorothiophen-2-yl)methyl]cyclopentyl]methanamine
CID 81010342
[2-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methanamine
CID 81009812
2-(5-chlorothiophen-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 55175088
3-[[(1R)-2-amino-2,3-dihydro-1H-inden-1-yl]methylsulfinyl]propan-1-ol
CID 142999065
2-(1,3-thiazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 112641294
(1S)-1-bromo-2,3-dihydro-1H-inden-2-amine
CID 142687946

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine (CID 54132568) is 1-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 1-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 1-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine is NC1Cc2ccccc2C1Cc1ccc(Cl)s1.
What is the InChIKey of 1-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is NVJKUBSECGBEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNS/c15-14-6-5-10(17-14)8-12-11-4-2-1-3-9(11)7-13(12)16/h1-6,12-13H,7-8,16H2.
What are the key properties of 1-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine?
1-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 263.79 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 54132568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).