2-(4-bromophenyl)-1-(thiolan-2-yl)ethanamine

C12H16BrNS — CID 80622702

IUPAC2-(4-bromophenyl)-1-(thiolan-2-yl)ethanamine
SMILESNC(Cc1ccc(Br)cc1)C1CCCS1
InChIInChI=1S/C12H16BrNS/c13-10-5-3-9(4-6-10)8-11(14)12-2-1-7-15-12/h3-6,11-12H,1-2,7-8,14H2
InChIKeySVYUUWPZXQVWIA-UHFFFAOYSA-N
MW286.24 g/mol
LogP3.21
Rot. Bonds3

About 2-(4-bromophenyl)-1-(thiolan-2-yl)ethanamine

2-(4-bromophenyl)-1-(thiolan-2-yl)ethanamine (PubChem CID 80622702) has the molecular formula C12H16BrNS and a molecular weight of 286.24 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(thiolan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(thiolan-2-yl)ethanamine
PubChem CID80622702
Molecular FormulaC12H16BrNS
Molecular Weight286.24 g/mol
Exact Mass285.02
IUPAC Name2-(4-bromophenyl)-1-(thiolan-2-yl)ethanamine
SMILESNC(Cc1ccc(Br)cc1)C1CCCS1
InChIInChI=1S/C12H16BrNS/c13-10-5-3-9(4-6-10)8-11(14)12-2-1-7-15-12/h3-6,11-12H,1-2,7-8,14H2
InChIKeySVYUUWPZXQVWIA-UHFFFAOYSA-N
XLogP3.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethylphenyl)-1-(thian-2-yl)ethanamine
CID 80626451
2-(4-chlorophenyl)-1-(thian-2-yl)ethanamine
CID 80627768
2-(2,3-dihydro-1H-inden-5-yl)-1-(thiolan-2-yl)ethanamine
CID 80623180
2-(2-bromophenyl)-1-(thiolan-2-yl)ethanamine
CID 80623175
2-(3,4-dichlorophenyl)-1-(thian-2-yl)ethanamine
CID 80627542
2-(2-bromo-4-fluorophenyl)-1-(thian-2-yl)ethanamine
CID 80626889
3-[2-amino-2-(thiolan-2-yl)ethyl]pyridin-2-amine
CID 80621765
2-(4-bromophenyl)-1-(oxolan-3-yl)ethanamine
CID 61276449
2-(2-bromo-5-methoxyphenyl)-1-(thian-2-yl)ethanamine
CID 80626770
1-(thiolan-2-yl)but-3-en-1-amine
CID 80622584
2-(4-iodophenyl)-1-(thiolan-2-yl)ethanol
CID 80623267
1-(1,4-dithian-2-yl)-2-(4-iodophenyl)ethanamine
CID 79971387

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(thiolan-2-yl)ethanamine?
The IUPAC name of 2-(4-bromophenyl)-1-(thiolan-2-yl)ethanamine (CID 80622702) is 2-(4-bromophenyl)-1-(thiolan-2-yl)ethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-1-(thiolan-2-yl)ethanamine?
The canonical SMILES for 2-(4-bromophenyl)-1-(thiolan-2-yl)ethanamine is NC(Cc1ccc(Br)cc1)C1CCCS1.
What is the InChIKey of 2-(4-bromophenyl)-1-(thiolan-2-yl)ethanamine?
The InChIKey is SVYUUWPZXQVWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNS/c13-10-5-3-9(4-6-10)8-11(14)12-2-1-7-15-12/h3-6,11-12H,1-2,7-8,14H2.
What are the key properties of 2-(4-bromophenyl)-1-(thiolan-2-yl)ethanamine?
2-(4-bromophenyl)-1-(thiolan-2-yl)ethanamine has a molecular weight of 286.24 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(thiolan-2-yl)ethanamine is sourced from PubChem (CID 80622702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).