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

C14H16BrNS — CID 43432739

IUPACN-[(2-bromophenyl)methyl]-1-thiophen-2-ylpropan-2-amine
SMILESCC(Cc1cccs1)NCc1ccccc1Br
InChIInChI=1S/C14H16BrNS/c1-11(9-13-6-4-8-17-13)16-10-12-5-2-3-7-14(12)15/h2-8,11,16H,9-10H2,1H3
InChIKeyONQNVDWNLOYBDB-UHFFFAOYSA-N
MW310.26 g/mol
LogP4.23
Rot. Bonds5

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

N-[(2-bromophenyl)methyl]-1-thiophen-2-ylpropan-2-amine (PubChem CID 43432739) 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-2-amine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-1-thiophen-2-ylpropan-2-amine
PubChem CID43432739
Molecular FormulaC14H16BrNS
Molecular Weight310.26 g/mol
Exact Mass309.02
IUPAC NameN-[(2-bromophenyl)methyl]-1-thiophen-2-ylpropan-2-amine
SMILESCC(Cc1cccs1)NCc1ccccc1Br
InChIInChI=1S/C14H16BrNS/c1-11(9-13-6-4-8-17-13)16-10-12-5-2-3-7-14(12)15/h2-8,11,16H,9-10H2,1H3
InChIKeyONQNVDWNLOYBDB-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

N-(quinolin-4-ylmethyl)-1-thiophen-2-ylpropan-2-amine
CID 63850551
1-bromo-N-[(2-bromophenyl)methyl]propan-2-amine
CID 107859698
N-[(2-bromophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057752
N-[(2-bromophenyl)methyl]propan-2-amine
CID 11988160
N-propyl-1-thiophen-2-ylpropan-2-amine
CID 43692824
N-[(5-chlorothiophen-2-yl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43432764
2-(1-thiophen-2-ylpropan-2-ylamino)ethanesulfonamide
CID 114385022
N-[(2-methoxy-5-methylphenyl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43432805
N-[(2-bromophenyl)methyl]propan-2-amine chloride
CID 19629100
N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1-thiophen-2-ylpropan-2-amine
CID 66416209
N-propan-2-yl-1-thiophen-2-ylpropan-2-amine
CID 15162973
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43432807

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-1-thiophen-2-ylpropan-2-amine?
The IUPAC name of N-[(2-bromophenyl)methyl]-1-thiophen-2-ylpropan-2-amine (CID 43432739) is N-[(2-bromophenyl)methyl]-1-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-1-thiophen-2-ylpropan-2-amine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-1-thiophen-2-ylpropan-2-amine is CC(Cc1cccs1)NCc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]-1-thiophen-2-ylpropan-2-amine?
The InChIKey is ONQNVDWNLOYBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNS/c1-11(9-13-6-4-8-17-13)16-10-12-5-2-3-7-14(12)15/h2-8,11,16H,9-10H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]-1-thiophen-2-ylpropan-2-amine?
N-[(2-bromophenyl)methyl]-1-thiophen-2-ylpropan-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-[(2-bromophenyl)methyl]-1-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 43432739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).