(1R)-1-(3-bromophenyl)-N-(1-thiophen-2-ylethyl)ethanamine

C14H16BrNS — CID 81372236

IUPAC(1R)-1-(3-bromophenyl)-N-(1-thiophen-2-ylethyl)ethanamine
SMILESCC(N[C@H](C)c1cccc(Br)c1)c1cccs1
InChIInChI=1S/C14H16BrNS/c1-10(12-5-3-6-13(15)9-12)16-11(2)14-7-4-8-17-14/h3-11,16H,1-2H3/t10-,11?/m1/s1
InChIKeyJCBUUUZWBBBREJ-NFJWQWPMSA-N
MW310.26 g/mol
LogP4.92
Rot. Bonds4

About (1R)-1-(3-bromophenyl)-N-(1-thiophen-2-ylethyl)ethanamine

(1R)-1-(3-bromophenyl)-N-(1-thiophen-2-ylethyl)ethanamine (PubChem CID 81372236) has the molecular formula C14H16BrNS and a molecular weight of 310.26 g/mol. Its IUPAC name is (1R)-1-(3-bromophenyl)-N-(1-thiophen-2-ylethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-bromophenyl)-N-(1-thiophen-2-ylethyl)ethanamine
PubChem CID81372236
Molecular FormulaC14H16BrNS
Molecular Weight310.26 g/mol
Exact Mass309.02
IUPAC Name(1R)-1-(3-bromophenyl)-N-(1-thiophen-2-ylethyl)ethanamine
SMILESCC(N[C@H](C)c1cccc(Br)c1)c1cccs1
InChIInChI=1S/C14H16BrNS/c1-10(12-5-3-6-13(15)9-12)16-11(2)14-7-4-8-17-14/h3-11,16H,1-2H3/t10-,11?/m1/s1
InChIKeyJCBUUUZWBBBREJ-NFJWQWPMSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(3-bromophenyl)ethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 81382664
1-(3-bromophenyl)-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398672
N-[1-(3-bromophenyl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 43673198
1-(3-bromophenyl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
CID 43740628
1-(3-bromophenyl)-2-(1-thiophen-2-ylethylamino)ethanol
CID 54938378
N-[(1S)-1-(3-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 81381061
N-[(1R)-1-(3-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 81382148
N'-[1-(3-bromophenyl)ethyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 43094623
3-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]benzenesulfonamide
CID 81398945
(1R)-1-(3-bromophenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine
CID 81382264
1-(3-bromo-4-methoxyphenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
CID 81399004
(1S)-N-[1-(1-benzothiophen-2-yl)ethyl]-1-(3-bromophenyl)ethanamine
CID 104982875

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-bromophenyl)-N-(1-thiophen-2-ylethyl)ethanamine?
The IUPAC name of (1R)-1-(3-bromophenyl)-N-(1-thiophen-2-ylethyl)ethanamine (CID 81372236) is (1R)-1-(3-bromophenyl)-N-(1-thiophen-2-ylethyl)ethanamine.
What is the SMILES notation for (1R)-1-(3-bromophenyl)-N-(1-thiophen-2-ylethyl)ethanamine?
The canonical SMILES for (1R)-1-(3-bromophenyl)-N-(1-thiophen-2-ylethyl)ethanamine is CC(N[C@H](C)c1cccc(Br)c1)c1cccs1.
What is the InChIKey of (1R)-1-(3-bromophenyl)-N-(1-thiophen-2-ylethyl)ethanamine?
The InChIKey is JCBUUUZWBBBREJ-NFJWQWPMSA-N. The full InChI is InChI=1S/C14H16BrNS/c1-10(12-5-3-6-13(15)9-12)16-11(2)14-7-4-8-17-14/h3-11,16H,1-2H3/t10-,11?/m1/s1.
What are the key properties of (1R)-1-(3-bromophenyl)-N-(1-thiophen-2-ylethyl)ethanamine?
(1R)-1-(3-bromophenyl)-N-(1-thiophen-2-ylethyl)ethanamine has a molecular weight of 310.26 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-bromophenyl)-N-(1-thiophen-2-ylethyl)ethanamine is sourced from PubChem (CID 81372236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).