4-[2-[(5-bromothiophen-2-yl)methylamino]propyl]phenol

C14H16BrNOS — CID 78943406

IUPAC4-[2-[(5-bromothiophen-2-yl)methylamino]propyl]phenol
SMILESCC(Cc1ccc(O)cc1)NCc1ccc(Br)s1
InChIInChI=1S/C14H16BrNOS/c1-10(8-11-2-4-12(17)5-3-11)16-9-13-6-7-14(15)18-13/h2-7,10,16-17H,8-9H2,1H3
InChIKeyQSSOXVRHUFWCJI-UHFFFAOYSA-N
MW326.26 g/mol
LogP3.94
Rot. Bonds5

About 4-[2-[(5-bromothiophen-2-yl)methylamino]propyl]phenol

4-[2-[(5-bromothiophen-2-yl)methylamino]propyl]phenol (PubChem CID 78943406) has the molecular formula C14H16BrNOS and a molecular weight of 326.26 g/mol. Its IUPAC name is 4-[2-[(5-bromothiophen-2-yl)methylamino]propyl]phenol.

Molecular Properties

Compound Name4-[2-[(5-bromothiophen-2-yl)methylamino]propyl]phenol
PubChem CID78943406
Molecular FormulaC14H16BrNOS
Molecular Weight326.26 g/mol
Exact Mass325.01
IUPAC Name4-[2-[(5-bromothiophen-2-yl)methylamino]propyl]phenol
SMILESCC(Cc1ccc(O)cc1)NCc1ccc(Br)s1
InChIInChI=1S/C14H16BrNOS/c1-10(8-11-2-4-12(17)5-3-11)16-9-13-6-7-14(15)18-13/h2-7,10,16-17H,8-9H2,1H3
InChIKeyQSSOXVRHUFWCJI-UHFFFAOYSA-N
XLogP3.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[(5-bromothiophen-2-yl)methylamino]butyl]phenol
CID 43746698
N-[(5-bromothiophen-2-yl)methyl]-1-phenylpropan-2-amine
CID 63012083
(2S)-2-[(5-bromothiophen-2-yl)methylamino]propan-1-ol
CID 93082561
4-[[(5-bromothiophen-2-yl)methylamino]methyl]phenol
CID 60744040
N-[(5-bromothiophen-2-yl)methyl]-1-(2-fluorophenyl)propan-2-amine
CID 115592294
N-[(5-bromothiophen-2-yl)methyl]-1-(2-chlorophenyl)propan-2-amine
CID 43677455
4-[2-[(4-methylphenyl)methylamino]propyl]phenol
CID 78943624
(2S)-N-[(5-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine
CID 28833502
N-[(5-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine
CID 20748992
N-[2-(5-bromothiophen-2-yl)ethyl]-1-phenylpropan-2-amine
CID 106042494
4-[[1-(4-chlorophenyl)propan-2-ylamino]methyl]phenol
CID 43677594
4-[2-(benzylamino)propyl]phenol;hydrobromide
CID 54609236

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-bromothiophen-2-yl)methylamino]propyl]phenol?
The IUPAC name of 4-[2-[(5-bromothiophen-2-yl)methylamino]propyl]phenol (CID 78943406) is 4-[2-[(5-bromothiophen-2-yl)methylamino]propyl]phenol.
What is the SMILES notation for 4-[2-[(5-bromothiophen-2-yl)methylamino]propyl]phenol?
The canonical SMILES for 4-[2-[(5-bromothiophen-2-yl)methylamino]propyl]phenol is CC(Cc1ccc(O)cc1)NCc1ccc(Br)s1.
What is the InChIKey of 4-[2-[(5-bromothiophen-2-yl)methylamino]propyl]phenol?
The InChIKey is QSSOXVRHUFWCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNOS/c1-10(8-11-2-4-12(17)5-3-11)16-9-13-6-7-14(15)18-13/h2-7,10,16-17H,8-9H2,1H3.
What are the key properties of 4-[2-[(5-bromothiophen-2-yl)methylamino]propyl]phenol?
4-[2-[(5-bromothiophen-2-yl)methylamino]propyl]phenol has a molecular weight of 326.26 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-bromothiophen-2-yl)methylamino]propyl]phenol is sourced from PubChem (CID 78943406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).