N-[(5-bromothiophen-3-yl)methyl]-2-phenylpropan-1-amine

C14H16BrNS — CID 43431962

IUPACN-[(5-bromothiophen-3-yl)methyl]-2-phenylpropan-1-amine
SMILESCC(CNCc1csc(Br)c1)c1ccccc1
InChIInChI=1S/C14H16BrNS/c1-11(13-5-3-2-4-6-13)8-16-9-12-7-14(15)17-10-12/h2-7,10-11,16H,8-9H2,1H3
InChIKeyNVJJFUYEZQULKS-UHFFFAOYSA-N
MW310.26 g/mol
LogP4.40
Rot. Bonds5

About N-[(5-bromothiophen-3-yl)methyl]-2-phenylpropan-1-amine

N-[(5-bromothiophen-3-yl)methyl]-2-phenylpropan-1-amine (PubChem CID 43431962) has the molecular formula C14H16BrNS and a molecular weight of 310.26 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-2-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-2-phenylpropan-1-amine
PubChem CID43431962
Molecular FormulaC14H16BrNS
Molecular Weight310.26 g/mol
Exact Mass309.02
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-2-phenylpropan-1-amine
SMILESCC(CNCc1csc(Br)c1)c1ccccc1
InChIInChI=1S/C14H16BrNS/c1-11(13-5-3-2-4-6-13)8-16-9-12-7-14(15)17-10-12/h2-7,10-11,16H,8-9H2,1H3
InChIKeyNVJJFUYEZQULKS-UHFFFAOYSA-N
XLogP4.40
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 ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
N-benzyl-2-(4-bromophenyl)propan-1-amine
CID 67472007
N-[(4-ethylphenyl)methyl]-2-phenylpropan-1-amine
CID 43079999
N-[(5-bromothiophen-3-yl)methyl]-1-phenylpropan-2-amine
CID 63010723
N-[(5-bromothiophen-3-yl)methyl]-2-methylsulfinylpropan-1-amine
CID 115764037
2-methyl-N-(2-phenylpropyl)propan-1-amine;hydrochloride
CID 17157782
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-phenylpropan-1-amine
CID 102831045
N-[(5-bromothiophen-3-yl)methyl]propan-2-amine
CID 43431930
1-[(5-bromothiophen-3-yl)methylamino]pentan-2-ol
CID 115623310
N-[(4-bromo-3-nitrophenyl)methyl]-2-phenylpropan-1-amine
CID 43223332
N-[(2-bromo-5-fluorophenyl)methyl]-2-phenylpropan-1-amine
CID 63452893
N-[(3,4-dimethoxyphenyl)methyl]-2-phenylpropan-1-amine
CID 22026275

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-2-phenylpropan-1-amine?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-2-phenylpropan-1-amine (CID 43431962) is N-[(5-bromothiophen-3-yl)methyl]-2-phenylpropan-1-amine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-2-phenylpropan-1-amine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-2-phenylpropan-1-amine is CC(CNCc1csc(Br)c1)c1ccccc1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-2-phenylpropan-1-amine?
The InChIKey is NVJJFUYEZQULKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNS/c1-11(13-5-3-2-4-6-13)8-16-9-12-7-14(15)17-10-12/h2-7,10-11,16H,8-9H2,1H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-2-phenylpropan-1-amine?
N-[(5-bromothiophen-3-yl)methyl]-2-phenylpropan-1-amine has a molecular weight of 310.26 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-2-phenylpropan-1-amine is sourced from PubChem (CID 43431962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).