1-(5-bromothiophen-2-yl)-4-phenoxybutan-2-amine

C14H16BrNOS — CID 62606413

IUPAC1-(5-bromothiophen-2-yl)-4-phenoxybutan-2-amine
SMILESNC(CCOc1ccccc1)Cc1ccc(Br)s1
InChIInChI=1S/C14H16BrNOS/c15-14-7-6-13(18-14)10-11(16)8-9-17-12-4-2-1-3-5-12/h1-7,11H,8-10,16H2
InChIKeyZTIAMKGLLRTJQA-UHFFFAOYSA-N
MW326.26 g/mol
LogP3.85
Rot. Bonds6

About 1-(5-bromothiophen-2-yl)-4-phenoxybutan-2-amine

1-(5-bromothiophen-2-yl)-4-phenoxybutan-2-amine (PubChem CID 62606413) has the molecular formula C14H16BrNOS and a molecular weight of 326.26 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-4-phenoxybutan-2-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-4-phenoxybutan-2-amine
PubChem CID62606413
Molecular FormulaC14H16BrNOS
Molecular Weight326.26 g/mol
Exact Mass325.01
IUPAC Name1-(5-bromothiophen-2-yl)-4-phenoxybutan-2-amine
SMILESNC(CCOc1ccccc1)Cc1ccc(Br)s1
InChIInChI=1S/C14H16BrNOS/c15-14-7-6-13(18-14)10-11(16)8-9-17-12-4-2-1-3-5-12/h1-7,11H,8-10,16H2
InChIKeyZTIAMKGLLRTJQA-UHFFFAOYSA-N
XLogP3.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromothiophen-2-yl)-4-(2-methylphenyl)butan-2-amine
CID 105134771
(2S)-4-phenoxybutane-1,2-diamine
CID 131851229
1-(5-bromothiophen-2-yl)-5-methoxyhexan-2-amine
CID 105134782
1-(5-bromothiophen-2-yl)butan-2-amine
CID 43565983
1-(3,5-difluorophenyl)-4-phenoxybutan-2-amine
CID 115601755
5-phenoxy-1-phenylpentan-2-amine
CID 62935761
1,1,1-trifluoro-5-phenoxypentan-3-amine
CID 115002824
1-(4-bromophenyl)-3-(5-bromothiophen-2-yl)propan-2-amine
CID 55095389
5-methyl-1-phenoxyoctan-3-amine
CID 55095717
1-(2-bromophenyl)-4-phenoxybutan-2-ol
CID 60798661
4-(3-amino-6-phenoxyhexoxy)aniline
CID 20534953
1-(5-bromothiophen-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 66098427

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-4-phenoxybutan-2-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-4-phenoxybutan-2-amine (CID 62606413) is 1-(5-bromothiophen-2-yl)-4-phenoxybutan-2-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-4-phenoxybutan-2-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-4-phenoxybutan-2-amine is NC(CCOc1ccccc1)Cc1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-4-phenoxybutan-2-amine?
The InChIKey is ZTIAMKGLLRTJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNOS/c15-14-7-6-13(18-14)10-11(16)8-9-17-12-4-2-1-3-5-12/h1-7,11H,8-10,16H2.
What are the key properties of 1-(5-bromothiophen-2-yl)-4-phenoxybutan-2-amine?
1-(5-bromothiophen-2-yl)-4-phenoxybutan-2-amine has a molecular weight of 326.26 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-4-phenoxybutan-2-amine is sourced from PubChem (CID 62606413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).