N-[2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)ethyl]propan-1-amine

C18H22BrNS — CID 65412289

IUPACN-[2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1sccc1Br)C1Cc2ccccc2C1
InChIInChI=1S/C18H22BrNS/c1-2-8-20-17(12-18-16(19)7-9-21-18)15-10-13-5-3-4-6-14(13)11-15/h3-7,9,15,17,20H,2,8,10-12H2,1H3
InChIKeyJWZDHSPSHONNKY-UHFFFAOYSA-N
MW364.35 g/mol
LogP4.84
Rot. Bonds6

About N-[2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)ethyl]propan-1-amine

N-[2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)ethyl]propan-1-amine (PubChem CID 65412289) has the molecular formula C18H22BrNS and a molecular weight of 364.35 g/mol. Its IUPAC name is N-[2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)ethyl]propan-1-amine
PubChem CID65412289
Molecular FormulaC18H22BrNS
Molecular Weight364.35 g/mol
Exact Mass363.07
IUPAC NameN-[2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1sccc1Br)C1Cc2ccccc2C1
InChIInChI=1S/C18H22BrNS/c1-2-8-20-17(12-18-16(19)7-9-21-18)15-10-13-5-3-4-6-14(13)11-15/h3-7,9,15,17,20H,2,8,10-12H2,1H3
InChIKeyJWZDHSPSHONNKY-UHFFFAOYSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)ethyl]propan-1-amine with MolForge

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Related Compounds

2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)-N-ethylethanamine
CID 65411121
N-[2-(3-bromothiophen-2-yl)-1-(4-propan-2-ylcyclohexyl)ethyl]propan-1-amine
CID 65424583
N-[1-(2,3-dihydro-1H-inden-2-yl)-2-thiophen-2-ylethyl]propan-1-amine
CID 65412104
N-[2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethyl]propan-1-amine
CID 105139620
N-[2-(3-bromothiophen-2-yl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine
CID 65352896
2-(3-bromothiophen-2-yl)-1-cyclohexyl-N-ethylethanamine
CID 63413437
1-(2,3-dihydro-1H-inden-2-yl)-4-methyl-N-propylpentan-1-amine
CID 65412290
N-[2-(3-bromothiophen-2-yl)-1-thiophen-2-ylethyl]propan-1-amine
CID 62608324
3-(3-bromothiophen-2-yl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
CID 79088293
1-(3-bromothiophen-2-yl)-3-(2-methylphenyl)-N-propylpropan-2-amine
CID 63417463
2-(3-bromothiophen-2-yl)-1-cyclobutyl-N-methylethanamine
CID 64986632
N-[1-(2,3-dihydro-1H-inden-2-yl)-2-propan-2-yloxyethyl]propan-1-amine
CID 79574668

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)ethyl]propan-1-amine (CID 65412289) is N-[2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)ethyl]propan-1-amine is CCCNC(Cc1sccc1Br)C1Cc2ccccc2C1.
What is the InChIKey of N-[2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)ethyl]propan-1-amine?
The InChIKey is JWZDHSPSHONNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNS/c1-2-8-20-17(12-18-16(19)7-9-21-18)15-10-13-5-3-4-6-14(13)11-15/h3-7,9,15,17,20H,2,8,10-12H2,1H3.
What are the key properties of N-[2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)ethyl]propan-1-amine?
N-[2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)ethyl]propan-1-amine has a molecular weight of 364.35 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 65412289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).