6-chloro-2,2-dimethyl-N-(thian-2-ylmethyl)-1,3-dihydroinden-1-amine

C17H24ClNS — CID 83066278

IUPAC6-chloro-2,2-dimethyl-N-(thian-2-ylmethyl)-1,3-dihydroinden-1-amine
SMILESCC1(C)Cc2ccc(Cl)cc2C1NCC1CCCCS1
InChIInChI=1S/C17H24ClNS/c1-17(2)10-12-6-7-13(18)9-15(12)16(17)19-11-14-5-3-4-8-20-14/h6-7,9,14,16,19H,3-5,8,10-11H2,1-2H3
InChIKeyIKVGCTYGYYQZPB-UHFFFAOYSA-N
MW309.91 g/mol
LogP4.84
Rot. Bonds3

About 6-chloro-2,2-dimethyl-N-(thian-2-ylmethyl)-1,3-dihydroinden-1-amine

6-chloro-2,2-dimethyl-N-(thian-2-ylmethyl)-1,3-dihydroinden-1-amine (PubChem CID 83066278) has the molecular formula C17H24ClNS and a molecular weight of 309.91 g/mol. Its IUPAC name is 6-chloro-2,2-dimethyl-N-(thian-2-ylmethyl)-1,3-dihydroinden-1-amine.

Molecular Properties

Compound Name6-chloro-2,2-dimethyl-N-(thian-2-ylmethyl)-1,3-dihydroinden-1-amine
PubChem CID83066278
Molecular FormulaC17H24ClNS
Molecular Weight309.91 g/mol
Exact Mass309.13
IUPAC Name6-chloro-2,2-dimethyl-N-(thian-2-ylmethyl)-1,3-dihydroinden-1-amine
SMILESCC1(C)Cc2ccc(Cl)cc2C1NCC1CCCCS1
InChIInChI=1S/C17H24ClNS/c1-17(2)10-12-6-7-13(18)9-15(12)16(17)19-11-14-5-3-4-8-20-14/h6-7,9,14,16,19H,3-5,8,10-11H2,1-2H3
InChIKeyIKVGCTYGYYQZPB-UHFFFAOYSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.91
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]methyl]cyclohexan-1-ol
CID 106125007
6-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 83066625
6-chloro-2,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-dihydroinden-1-amine
CID 106023954
6-chloro-N-(2-chloroprop-2-enyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 113464540
3-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]propan-1-ol
CID 83067295
6-chloro-2,2-dimethyl-N-(thiophen-3-ylmethyl)-1,3-dihydroinden-1-amine
CID 83067581
N-[(4-bromophenyl)methyl]-6-chloro-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 83065761
6-chloro-N-[(4-fluorophenyl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 83067455
6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 106041280
6-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 83066115
6-chloro-N-[3-(cyclopropylmethoxy)propyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 83067284
6-chloro-N-(dicyclopropylmethyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 83066943

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,2-dimethyl-N-(thian-2-ylmethyl)-1,3-dihydroinden-1-amine?
The IUPAC name of 6-chloro-2,2-dimethyl-N-(thian-2-ylmethyl)-1,3-dihydroinden-1-amine (CID 83066278) is 6-chloro-2,2-dimethyl-N-(thian-2-ylmethyl)-1,3-dihydroinden-1-amine.
What is the SMILES notation for 6-chloro-2,2-dimethyl-N-(thian-2-ylmethyl)-1,3-dihydroinden-1-amine?
The canonical SMILES for 6-chloro-2,2-dimethyl-N-(thian-2-ylmethyl)-1,3-dihydroinden-1-amine is CC1(C)Cc2ccc(Cl)cc2C1NCC1CCCCS1.
What is the InChIKey of 6-chloro-2,2-dimethyl-N-(thian-2-ylmethyl)-1,3-dihydroinden-1-amine?
The InChIKey is IKVGCTYGYYQZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNS/c1-17(2)10-12-6-7-13(18)9-15(12)16(17)19-11-14-5-3-4-8-20-14/h6-7,9,14,16,19H,3-5,8,10-11H2,1-2H3.
What are the key properties of 6-chloro-2,2-dimethyl-N-(thian-2-ylmethyl)-1,3-dihydroinden-1-amine?
6-chloro-2,2-dimethyl-N-(thian-2-ylmethyl)-1,3-dihydroinden-1-amine has a molecular weight of 309.91 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,2-dimethyl-N-(thian-2-ylmethyl)-1,3-dihydroinden-1-amine is sourced from PubChem (CID 83066278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).