(5-bromo-4-chlorothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine

C14H13BrClNS — CID 80530682

IUPAC(5-bromo-4-chlorothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine
SMILESNC(c1ccc2c(c1)CCC2)c1cc(Cl)c(Br)s1
InChIInChI=1S/C14H13BrClNS/c15-14-11(16)7-12(18-14)13(17)10-5-4-8-2-1-3-9(8)6-10/h4-7,13H,1-3,17H2
InChIKeyBBAGXQIKIUGNFP-UHFFFAOYSA-N
MW342.69 g/mol
LogP4.70
Rot. Bonds2

About (5-bromo-4-chlorothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine

(5-bromo-4-chlorothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine (PubChem CID 80530682) has the molecular formula C14H13BrClNS and a molecular weight of 342.69 g/mol. Its IUPAC name is (5-bromo-4-chlorothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-4-chlorothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine
PubChem CID80530682
Molecular FormulaC14H13BrClNS
Molecular Weight342.69 g/mol
Exact Mass340.96
IUPAC Name(5-bromo-4-chlorothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine
SMILESNC(c1ccc2c(c1)CCC2)c1cc(Cl)c(Br)s1
InChIInChI=1S/C14H13BrClNS/c15-14-11(16)7-12(18-14)13(17)10-5-4-8-2-1-3-9(8)6-10/h4-7,13H,1-3,17H2
InChIKeyBBAGXQIKIUGNFP-UHFFFAOYSA-N
XLogP4.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.69
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1H-inden-5-yl-(5-methylthiophen-2-yl)methanamine
CID 43198083
(3,5-dichlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43115602
(2-bromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43115600
2,3-dihydro-1H-inden-5-yl(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine
CID 81266138
(5-bromo-4-chlorothiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 80530745
(2,5-dibromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43097516
2,3-dibromo-5-[bromo(2,3-dihydro-1H-inden-5-yl)methyl]thiophene
CID 80534520
2,3-dihydro-1H-inden-5-yl-(4-propan-2-ylphenyl)methanamine
CID 43115552
(2-chloro-4,5-dimethylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 115483649
(3-chloro-4-methylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
CID 107561932
2,3-dihydro-1H-inden-5-ylmethanediamine
CID 116939135
(2-chloro-3-fluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 81454834

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine?
The IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine (CID 80530682) is (5-bromo-4-chlorothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine.
What is the SMILES notation for (5-bromo-4-chlorothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine?
The canonical SMILES for (5-bromo-4-chlorothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine is NC(c1ccc2c(c1)CCC2)c1cc(Cl)c(Br)s1.
What is the InChIKey of (5-bromo-4-chlorothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine?
The InChIKey is BBAGXQIKIUGNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNS/c15-14-11(16)7-12(18-14)13(17)10-5-4-8-2-1-3-9(8)6-10/h4-7,13H,1-3,17H2.
What are the key properties of (5-bromo-4-chlorothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine?
(5-bromo-4-chlorothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine has a molecular weight of 342.69 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-chlorothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine is sourced from PubChem (CID 80530682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).