N-[(4-bromothiophen-2-yl)methyl]-1-phenylpropan-2-amine

C14H16BrNS — CID 63010902

IUPACN-[(4-bromothiophen-2-yl)methyl]-1-phenylpropan-2-amine
SMILESCC(Cc1ccccc1)NCc1cc(Br)cs1
InChIInChI=1S/C14H16BrNS/c1-11(7-12-5-3-2-4-6-12)16-9-14-8-13(15)10-17-14/h2-6,8,10-11,16H,7,9H2,1H3
InChIKeyOBAWUEFKKQOCHA-UHFFFAOYSA-N
MW310.26 g/mol
LogP4.23
Rot. Bonds5

About N-[(4-bromothiophen-2-yl)methyl]-1-phenylpropan-2-amine

N-[(4-bromothiophen-2-yl)methyl]-1-phenylpropan-2-amine (PubChem CID 63010902) has the molecular formula C14H16BrNS and a molecular weight of 310.26 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-1-phenylpropan-2-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-1-phenylpropan-2-amine
PubChem CID63010902
Molecular FormulaC14H16BrNS
Molecular Weight310.26 g/mol
Exact Mass309.02
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-1-phenylpropan-2-amine
SMILESCC(Cc1ccccc1)NCc1cc(Br)cs1
InChIInChI=1S/C14H16BrNS/c1-11(7-12-5-3-2-4-6-12)16-9-14-8-13(15)10-17-14/h2-6,8,10-11,16H,7,9H2,1H3
InChIKeyOBAWUEFKKQOCHA-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(4-bromothiophen-2-yl)methyl]-4-phenylbutan-2-amine
CID 28833188
N-[(5-bromothiophen-3-yl)methyl]-1-phenylpropan-2-amine
CID 63010723
N-[(4-bromothiophen-2-yl)methyl]-1-(furan-2-yl)propan-2-amine
CID 43432954
N-[(5-bromothiophen-2-yl)methyl]-1-phenylpropan-2-amine
CID 63012083
N-[(4-bromothiophen-2-yl)methyl]-1-phenylmethanamine
CID 4792507
2-benzyl-3-(4-bromothiophen-2-yl)-N-(2-methylpropyl)propan-1-amine
CID 63496906
N-[(5-methylthiophen-2-yl)methyl]-1-phenylpropan-2-amine
CID 63012085
N-[(4-bromothiophen-2-yl)methyl]hex-5-en-2-amine
CID 75525502
(2S)-N-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine
CID 28833486
N-[(3-bromo-5-fluorophenyl)methyl]-1-phenylpropan-2-amine
CID 79710487
N-[(4-bromothiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 43085346
N-[(4-bromothiophen-2-yl)methyl]-4-methoxybutan-2-amine
CID 62732795

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1-phenylpropan-2-amine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1-phenylpropan-2-amine (CID 63010902) is N-[(4-bromothiophen-2-yl)methyl]-1-phenylpropan-2-amine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-1-phenylpropan-2-amine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-1-phenylpropan-2-amine is CC(Cc1ccccc1)NCc1cc(Br)cs1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-1-phenylpropan-2-amine?
The InChIKey is OBAWUEFKKQOCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNS/c1-11(7-12-5-3-2-4-6-12)16-9-14-8-13(15)10-17-14/h2-6,8,10-11,16H,7,9H2,1H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-1-phenylpropan-2-amine?
N-[(4-bromothiophen-2-yl)methyl]-1-phenylpropan-2-amine has a molecular weight of 310.26 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-1-phenylpropan-2-amine is sourced from PubChem (CID 63010902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).