1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(5-bromothiophen-2-yl)ethanamine

C17H18BrNS — CID 115841207

IUPAC1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(5-bromothiophen-2-yl)ethanamine
SMILESNC(Cc1ccc(Br)s1)C1C2CCc3ccccc3C21
InChIInChI=1S/C17H18BrNS/c18-15-8-6-11(20-15)9-14(19)17-13-7-5-10-3-1-2-4-12(10)16(13)17/h1-4,6,8,13-14,16-17H,5,7,9,19H2
InChIKeyBRICWLFBMMKPKE-UHFFFAOYSA-N
MW348.31 g/mol
LogP4.36
Rot. Bonds3

About 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(5-bromothiophen-2-yl)ethanamine

1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(5-bromothiophen-2-yl)ethanamine (PubChem CID 115841207) has the molecular formula C17H18BrNS and a molecular weight of 348.31 g/mol. Its IUPAC name is 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(5-bromothiophen-2-yl)ethanamine.

Molecular Properties

Compound Name1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(5-bromothiophen-2-yl)ethanamine
PubChem CID115841207
Molecular FormulaC17H18BrNS
Molecular Weight348.31 g/mol
Exact Mass347.03
IUPAC Name1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(5-bromothiophen-2-yl)ethanamine
SMILESNC(Cc1ccc(Br)s1)C1C2CCc3ccccc3C21
InChIInChI=1S/C17H18BrNS/c18-15-8-6-11(20-15)9-14(19)17-13-7-5-10-3-1-2-4-12(10)16(13)17/h1-4,6,8,13-14,16-17H,5,7,9,19H2
InChIKeyBRICWLFBMMKPKE-UHFFFAOYSA-N
XLogP4.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.31
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(5-bromothiophen-2-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-bromothiophen-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 63250788
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)nonan-1-amine
CID 115835676
N-[(5-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 43181898
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-methylsulfonylbutan-1-amine
CID 115820859
1-(difluoromethyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene
CID 132609163
N-[2-(5-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-1-yl)ethyl]propan-1-amine
CID 65403400
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-4-ethylsulfonylbutan-1-amine
CID 115865498
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methylethanamine
CID 115779942
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-cyclopropyl-N-methylethanamine
CID 104986364
2-(5-chlorothiophen-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 55175088
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(5-bromo-2-pyridinyl)ethanol
CID 115833216
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(furan-3-yl)ethanol
CID 115830319

Frequently Asked Questions

What is the IUPAC name of 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(5-bromothiophen-2-yl)ethanamine?
The IUPAC name of 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(5-bromothiophen-2-yl)ethanamine (CID 115841207) is 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(5-bromothiophen-2-yl)ethanamine.
What is the SMILES notation for 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(5-bromothiophen-2-yl)ethanamine?
The canonical SMILES for 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(5-bromothiophen-2-yl)ethanamine is NC(Cc1ccc(Br)s1)C1C2CCc3ccccc3C21.
What is the InChIKey of 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(5-bromothiophen-2-yl)ethanamine?
The InChIKey is BRICWLFBMMKPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNS/c18-15-8-6-11(20-15)9-14(19)17-13-7-5-10-3-1-2-4-12(10)16(13)17/h1-4,6,8,13-14,16-17H,5,7,9,19H2.
What are the key properties of 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(5-bromothiophen-2-yl)ethanamine?
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(5-bromothiophen-2-yl)ethanamine has a molecular weight of 348.31 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(5-bromothiophen-2-yl)ethanamine is sourced from PubChem (CID 115841207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).