N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-phenylpropan-1-amine

C15H18BrNS — CID 102831045

IUPACN-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-phenylpropan-1-amine
SMILESCc1sc(CNCC(C)c2ccccc2)cc1Br
InChIInChI=1S/C15H18BrNS/c1-11(13-6-4-3-5-7-13)9-17-10-14-8-15(16)12(2)18-14/h3-8,11,17H,9-10H2,1-2H3
InChIKeyRLLWUSAQAYSUNX-UHFFFAOYSA-N
MW324.29 g/mol
LogP4.71
Rot. Bonds5

About N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-phenylpropan-1-amine

N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-phenylpropan-1-amine (PubChem CID 102831045) has the molecular formula C15H18BrNS and a molecular weight of 324.29 g/mol. Its IUPAC name is N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-phenylpropan-1-amine
PubChem CID102831045
Molecular FormulaC15H18BrNS
Molecular Weight324.29 g/mol
Exact Mass323.03
IUPAC NameN-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-phenylpropan-1-amine
SMILESCc1sc(CNCC(C)c2ccccc2)cc1Br
InChIInChI=1S/C15H18BrNS/c1-11(13-6-4-3-5-7-13)9-17-10-14-8-15(16)12(2)18-14/h3-8,11,17H,9-10H2,1-2H3
InChIKeyRLLWUSAQAYSUNX-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-dimethylthiophen-3-yl)methyl]-2-phenylpropan-1-amine
CID 54977569
N-[(2-bromo-5-fluorophenyl)methyl]-2-phenylpropan-1-amine
CID 63452893
N-[(5-bromothiophen-3-yl)methyl]-2-phenylpropan-1-amine
CID 43431962
(1S)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(3-bromophenyl)ethanamine
CID 102836741
(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
5-[(2-phenylpropylamino)methyl]thiophene-2-carboxylic acid
CID 20890240
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-[2-[(dimethylamino)methyl]phenyl]methanamine
CID 102830937
(1R)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 102836873
2-[(4-bromo-5-methylthiophen-2-yl)methylamino]-3-phenylpropan-1-ol
CID 102835691
1-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenyl]ethanol
CID 102835062
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 102834709
N-benzyl-2-(4-bromophenyl)propan-1-amine
CID 67472007

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-phenylpropan-1-amine?
The IUPAC name of N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-phenylpropan-1-amine (CID 102831045) is N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-phenylpropan-1-amine.
What is the SMILES notation for N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-phenylpropan-1-amine?
The canonical SMILES for N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-phenylpropan-1-amine is Cc1sc(CNCC(C)c2ccccc2)cc1Br.
What is the InChIKey of N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-phenylpropan-1-amine?
The InChIKey is RLLWUSAQAYSUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNS/c1-11(13-6-4-3-5-7-13)9-17-10-14-8-15(16)12(2)18-14/h3-8,11,17H,9-10H2,1-2H3.
What are the key properties of N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-phenylpropan-1-amine?
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-phenylpropan-1-amine has a molecular weight of 324.29 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-phenylpropan-1-amine is sourced from PubChem (CID 102831045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).