(2R)-N-[(4-bromothiophen-2-yl)methyl]-4-phenylbutan-2-amine

C15H18BrNS — CID 28833188

IUPAC(2R)-N-[(4-bromothiophen-2-yl)methyl]-4-phenylbutan-2-amine
SMILESC[C@H](CCc1ccccc1)NCc1cc(Br)cs1
InChIInChI=1S/C15H18BrNS/c1-12(7-8-13-5-3-2-4-6-13)17-10-15-9-14(16)11-18-15/h2-6,9,11-12,17H,7-8,10H2,1H3/t12-/m1/s1
InChIKeyZIXLSTFXBPTHIQ-GFCCVEGCSA-N
MW324.29 g/mol
LogP4.62
Rot. Bonds6

About (2R)-N-[(4-bromothiophen-2-yl)methyl]-4-phenylbutan-2-amine

(2R)-N-[(4-bromothiophen-2-yl)methyl]-4-phenylbutan-2-amine (PubChem CID 28833188) has the molecular formula C15H18BrNS and a molecular weight of 324.29 g/mol. Its IUPAC name is (2R)-N-[(4-bromothiophen-2-yl)methyl]-4-phenylbutan-2-amine.

Molecular Properties

Compound Name(2R)-N-[(4-bromothiophen-2-yl)methyl]-4-phenylbutan-2-amine
PubChem CID28833188
Molecular FormulaC15H18BrNS
Molecular Weight324.29 g/mol
Exact Mass323.03
IUPAC Name(2R)-N-[(4-bromothiophen-2-yl)methyl]-4-phenylbutan-2-amine
SMILESC[C@H](CCc1ccccc1)NCc1cc(Br)cs1
InChIInChI=1S/C15H18BrNS/c1-12(7-8-13-5-3-2-4-6-13)17-10-15-9-14(16)11-18-15/h2-6,9,11-12,17H,7-8,10H2,1H3/t12-/m1/s1
InChIKeyZIXLSTFXBPTHIQ-GFCCVEGCSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-1-phenylpropan-2-amine
CID 63010902
N-[(4-bromophenyl)methyl]-4-phenylbutan-2-amine
CID 17211073
N-[(4-bromothiophen-2-yl)methyl]-1-phenylmethanamine
CID 4792507
N-[(4-bromothiophen-2-yl)methyl]-4-methoxybutan-2-amine
CID 62732795
(2R)-4-phenyl-N-(thiophen-3-ylmethyl)butan-2-amine
CID 28667748
N-[(4,5-dibromofuran-2-yl)methyl]-4-phenylbutan-2-amine
CID 62084806
N-[(4-bromothiophen-2-yl)methyl]hex-5-en-2-amine
CID 75525502
N-[(4-bromothiophen-2-yl)methyl]-1-(furan-2-yl)propan-2-amine
CID 43432954
N-[(3,5-difluorophenyl)methyl]-4-phenylbutan-2-amine
CID 115623663
(2S)-N-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine
CID 28833486
N-[(2-bromo-5-fluorophenyl)methyl]-4-phenylbutan-2-amine
CID 63452332
(1S)-N-[(4-bromothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 28833552

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4-bromothiophen-2-yl)methyl]-4-phenylbutan-2-amine?
The IUPAC name of (2R)-N-[(4-bromothiophen-2-yl)methyl]-4-phenylbutan-2-amine (CID 28833188) is (2R)-N-[(4-bromothiophen-2-yl)methyl]-4-phenylbutan-2-amine.
What is the SMILES notation for (2R)-N-[(4-bromothiophen-2-yl)methyl]-4-phenylbutan-2-amine?
The canonical SMILES for (2R)-N-[(4-bromothiophen-2-yl)methyl]-4-phenylbutan-2-amine is C[C@H](CCc1ccccc1)NCc1cc(Br)cs1.
What is the InChIKey of (2R)-N-[(4-bromothiophen-2-yl)methyl]-4-phenylbutan-2-amine?
The InChIKey is ZIXLSTFXBPTHIQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18BrNS/c1-12(7-8-13-5-3-2-4-6-13)17-10-15-9-14(16)11-18-15/h2-6,9,11-12,17H,7-8,10H2,1H3/t12-/m1/s1.
What are the key properties of (2R)-N-[(4-bromothiophen-2-yl)methyl]-4-phenylbutan-2-amine?
(2R)-N-[(4-bromothiophen-2-yl)methyl]-4-phenylbutan-2-amine has a molecular weight of 324.29 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(4-bromothiophen-2-yl)methyl]-4-phenylbutan-2-amine is sourced from PubChem (CID 28833188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).