N-[(2-bromophenyl)methyl]-1-thiophen-2-ylpropan-1-amine

C14H16BrNS — CID 61057752

IUPACN-[(2-bromophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
SMILESCCC(NCc1ccccc1Br)c1cccs1
InChIInChI=1S/C14H16BrNS/c1-2-13(14-8-5-9-17-14)16-10-11-6-3-4-7-12(11)15/h3-9,13,16H,2,10H2,1H3
InChIKeyYORYGGKTWSGTCW-UHFFFAOYSA-N
MW310.26 g/mol
LogP4.75
Rot. Bonds5

About N-[(2-bromophenyl)methyl]-1-thiophen-2-ylpropan-1-amine

N-[(2-bromophenyl)methyl]-1-thiophen-2-ylpropan-1-amine (PubChem CID 61057752) has the molecular formula C14H16BrNS and a molecular weight of 310.26 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
PubChem CID61057752
Molecular FormulaC14H16BrNS
Molecular Weight310.26 g/mol
Exact Mass309.02
IUPAC NameN-[(2-bromophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
SMILESCCC(NCc1ccccc1Br)c1cccs1
InChIInChI=1S/C14H16BrNS/c1-2-13(14-8-5-9-17-14)16-10-11-6-3-4-7-12(11)15/h3-9,13,16H,2,10H2,1H3
InChIKeyYORYGGKTWSGTCW-UHFFFAOYSA-N
XLogP4.75
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 ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-[(2-bromophenyl)methylamino]-3-thiophen-2-ylpropanoate
CID 43724993
2-(2-bromophenyl)-N-methyl-1-thiophen-2-ylethanamine
CID 60818795
N-[(3-bromo-2,6-difluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 106263333
N-[(2,4-difluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057095
N-(isoquinolin-4-ylmethyl)-1-thiophen-2-ylpropan-1-amine
CID 115904955
N-[(2-bromophenyl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43432739
N-[(4-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43201345
N-[(2-chloro-5-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 102609818
N-[(3-bromo-5-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 79710933
N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057881
3-[(2-ethylphenyl)methylamino]-3-thiophen-2-ylpropanoic acid
CID 62392453
N-[(2-bromophenyl)methyl]propan-2-amine
CID 11988160

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-[(2-bromophenyl)methyl]-1-thiophen-2-ylpropan-1-amine (CID 61057752) is N-[(2-bromophenyl)methyl]-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-1-thiophen-2-ylpropan-1-amine is CCC(NCc1ccccc1Br)c1cccs1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-1-thiophen-2-ylpropan-1-amine?
The InChIKey is YORYGGKTWSGTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNS/c1-2-13(14-8-5-9-17-14)16-10-11-6-3-4-7-12(11)15/h3-9,13,16H,2,10H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]-1-thiophen-2-ylpropan-1-amine?
N-[(2-bromophenyl)methyl]-1-thiophen-2-ylpropan-1-amine has a molecular weight of 310.26 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 61057752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).