1-amino-2-(3-bromophenyl)-6-thiophen-2-ylhexan-3-ol

C16H20BrNOS — CID 65188291

IUPAC1-amino-2-(3-bromophenyl)-6-thiophen-2-ylhexan-3-ol
SMILESNCC(c1cccc(Br)c1)C(O)CCCc1cccs1
InChIInChI=1S/C16H20BrNOS/c17-13-5-1-4-12(10-13)15(11-18)16(19)8-2-6-14-7-3-9-20-14/h1,3-5,7,9-10,15-16,19H,2,6,8,11,18H2
InChIKeyJPVAKBSYMYBRMG-UHFFFAOYSA-N
MW354.31 g/mol
LogP3.94
Rot. Bonds7

About 1-amino-2-(3-bromophenyl)-6-thiophen-2-ylhexan-3-ol

1-amino-2-(3-bromophenyl)-6-thiophen-2-ylhexan-3-ol (PubChem CID 65188291) has the molecular formula C16H20BrNOS and a molecular weight of 354.31 g/mol. Its IUPAC name is 1-amino-2-(3-bromophenyl)-6-thiophen-2-ylhexan-3-ol.

Molecular Properties

Compound Name1-amino-2-(3-bromophenyl)-6-thiophen-2-ylhexan-3-ol
PubChem CID65188291
Molecular FormulaC16H20BrNOS
Molecular Weight354.31 g/mol
Exact Mass353.04
IUPAC Name1-amino-2-(3-bromophenyl)-6-thiophen-2-ylhexan-3-ol
SMILESNCC(c1cccc(Br)c1)C(O)CCCc1cccs1
InChIInChI=1S/C16H20BrNOS/c17-13-5-1-4-12(10-13)15(11-18)16(19)8-2-6-14-7-3-9-20-14/h1,3-5,7,9-10,15-16,19H,2,6,8,11,18H2
InChIKeyJPVAKBSYMYBRMG-UHFFFAOYSA-N
XLogP3.94
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.31
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-2-(4-methoxyphenyl)-6-thiophen-2-ylhexan-3-ol
CID 65185856
1-amino-5-thiophen-2-ylpentan-2-ol
CID 54294228
2-(3-bromophenyl)-3-thiophen-2-ylpropan-1-amine
CID 79016135
1-amino-2-(3-chloro-2-fluorophenyl)-6-thiophen-2-ylhexan-3-ol
CID 82793341
1-amino-2-(3-bromophenyl)-5,5-dimethylhexan-3-ol
CID 65188289
2-methyl-6-thiophen-2-ylhexan-3-ol
CID 63774630
3-amino-2-(3-bromophenyl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-ol
CID 80738778
3-amino-2-(3-bromophenyl)-1-cyclopropylpropan-1-ol
CID 65187659
1-(3-bromophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 63774616
1-(3-bromophenyl)-3-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-1-ol
CID 62618661
N-[1-(3-bromophenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 75871633
3-amino-1-(1-benzothiophen-3-yl)-2-(3-bromophenyl)propan-1-ol
CID 65188133

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(3-bromophenyl)-6-thiophen-2-ylhexan-3-ol?
The IUPAC name of 1-amino-2-(3-bromophenyl)-6-thiophen-2-ylhexan-3-ol (CID 65188291) is 1-amino-2-(3-bromophenyl)-6-thiophen-2-ylhexan-3-ol.
What is the SMILES notation for 1-amino-2-(3-bromophenyl)-6-thiophen-2-ylhexan-3-ol?
The canonical SMILES for 1-amino-2-(3-bromophenyl)-6-thiophen-2-ylhexan-3-ol is NCC(c1cccc(Br)c1)C(O)CCCc1cccs1.
What is the InChIKey of 1-amino-2-(3-bromophenyl)-6-thiophen-2-ylhexan-3-ol?
The InChIKey is JPVAKBSYMYBRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNOS/c17-13-5-1-4-12(10-13)15(11-18)16(19)8-2-6-14-7-3-9-20-14/h1,3-5,7,9-10,15-16,19H,2,6,8,11,18H2.
What are the key properties of 1-amino-2-(3-bromophenyl)-6-thiophen-2-ylhexan-3-ol?
1-amino-2-(3-bromophenyl)-6-thiophen-2-ylhexan-3-ol has a molecular weight of 354.31 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(3-bromophenyl)-6-thiophen-2-ylhexan-3-ol is sourced from PubChem (CID 65188291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).