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

2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 1817785
Benzyl(1-(thiophen-2-yl)propan-2-yl)amine
CID 4868418
N-methyl-1-(2-thiophen-2-ylphenyl)methanamine
CID 7060565
Phenethyl-thiophen-2-ylmethyl-amine hydrochloride
CID 24746854
N-(4-bromobenzyl)-N-(2-thienylmethyl)amine
CID 834255
2,6-Dimethyl-4-(p-bromophenyl)-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine hydrochloride
CID 20546707
2-Methyl-4-(p-bromophenyl)-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine hydrochloride
CID 20546729
N-[2-(4-fluorophenyl)ethyl]-N-[(3-methyl-2-thienyl)methyl]amine
CID 1817795
N-Methyl-N-(3-thien-3-ylbenzyl)amine
CID 18525825
1-{[5-(4-Bromophenyl)thiophen-2-yl]methyl}piperazine
CID 42951112
N-(3-bromobenzyl)-N-(2-thienylmethyl)amine
CID 834209
N-benzyl(5-methyl-2-thienyl)methanamine
CID 4721388

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).