6-chloro-2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]-1,3-dihydroinden-1-amine

C17H20ClNS — CID 83067481

IUPAC6-chloro-2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]-1,3-dihydroinden-1-amine
SMILESC[C@@H](NC1c2cc(Cl)ccc2CC1(C)C)c1cccs1
InChIInChI=1S/C17H20ClNS/c1-11(15-5-4-8-20-15)19-16-14-9-13(18)7-6-12(14)10-17(16,2)3/h4-9,11,16,19H,10H2,1-3H3/t11-,16?/m1/s1
InChIKeyVHLZMFLVSZIQPC-ZVDHGWRTSA-N
MW305.87 g/mol
LogP5.38
Rot. Bonds3

About 6-chloro-2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]-1,3-dihydroinden-1-amine

6-chloro-2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]-1,3-dihydroinden-1-amine (PubChem CID 83067481) has the molecular formula C17H20ClNS and a molecular weight of 305.87 g/mol. Its IUPAC name is 6-chloro-2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]-1,3-dihydroinden-1-amine.

Molecular Properties

Compound Name6-chloro-2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]-1,3-dihydroinden-1-amine
PubChem CID83067481
Molecular FormulaC17H20ClNS
Molecular Weight305.87 g/mol
Exact Mass305.10
IUPAC Name6-chloro-2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]-1,3-dihydroinden-1-amine
SMILESC[C@@H](NC1c2cc(Cl)ccc2CC1(C)C)c1cccs1
InChIInChI=1S/C17H20ClNS/c1-11(15-5-4-8-20-15)19-16-14-9-13(18)7-6-12(14)10-17(16,2)3/h4-9,11,16,19H,10H2,1-3H3/t11-,16?/m1/s1
InChIKeyVHLZMFLVSZIQPC-ZVDHGWRTSA-N
XLogP5.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.87
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-chloro-2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]-1,3-dihydroinden-1-amine with MolForge

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Related Compounds

1-(6-Chloro-3-thiophen-3-yl-indan-1-yl)-3,3-dimethyl-piperazine
CID 10712649
4-(6-Chloro-3-thiophen-3-yl-indan-1-yl)-1,2,2-trimethyl-piperazine
CID 10784787
[(4-Chlorophenyl)methyl][1-(thiophen-2-yl)propan-2-yl]amine
CID 4868416
2-Thenylamine, alpha-(m-chlorobenzyl)-N-isopropyl-, hydrochloride
CID 3061998
2-Thenylamine, alpha-(p-chlorobenzyl)-N-isopropyl-, hydrochloride
CID 3062002
N-Benzyl-2-(4-chlorophenyl)-1-(thiophen-2-yl)ethan-1-amine
CID 3062006
2-(4-Chlorophenyl)-N-ethyl-1-(thiophen-2-yl)ethan-1-amine--hydrogen chloride (1/1)
CID 3062045
N-[(thiophen-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine hydrochloride
CID 21648292
N-[2-(3-chlorophenyl)-1-thiophen-2-ylethyl]propan-2-amine
CID 3061999
N-[2-(4-chlorophenyl)-1-thiophen-2-ylethyl]propan-2-amine
CID 3062003
2-(4-chlorophenyl)-N-ethyl-1-thiophen-2-ylethanamine
CID 3062046
N-[[5-[4-chloro-2-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]propan-2-amine
CID 43287297

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]-1,3-dihydroinden-1-amine?
The IUPAC name of 6-chloro-2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]-1,3-dihydroinden-1-amine (CID 83067481) is 6-chloro-2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]-1,3-dihydroinden-1-amine.
What is the SMILES notation for 6-chloro-2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]-1,3-dihydroinden-1-amine?
The canonical SMILES for 6-chloro-2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]-1,3-dihydroinden-1-amine is C[C@@H](NC1c2cc(Cl)ccc2CC1(C)C)c1cccs1.
What is the InChIKey of 6-chloro-2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]-1,3-dihydroinden-1-amine?
The InChIKey is VHLZMFLVSZIQPC-ZVDHGWRTSA-N. The full InChI is InChI=1S/C17H20ClNS/c1-11(15-5-4-8-20-15)19-16-14-9-13(18)7-6-12(14)10-17(16,2)3/h4-9,11,16,19H,10H2,1-3H3/t11-,16?/m1/s1.
What are the key properties of 6-chloro-2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]-1,3-dihydroinden-1-amine?
6-chloro-2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]-1,3-dihydroinden-1-amine has a molecular weight of 305.87 g/mol, XLogP of 5.38, 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-[(1R)-1-thiophen-2-ylethyl]-1,3-dihydroinden-1-amine is sourced from PubChem (CID 83067481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).