(2R)-1-[2-(5-bromothiophen-2-yl)ethylamino]propan-2-ol

C9H14BrNOS — CID 96666636

IUPAC(2R)-1-[2-(5-bromothiophen-2-yl)ethylamino]propan-2-ol
SMILESC[C@@H](O)CNCCc1ccc(Br)s1
InChIInChI=1S/C9H14BrNOS/c1-7(12)6-11-5-4-8-2-3-9(10)13-8/h2-3,7,11-12H,4-6H2,1H3/t7-/m1/s1
InChIKeyNRNMQSHDQZYTTG-SSDOTTSWSA-N
MW264.19 g/mol
LogP2.02
Rot. Bonds5

About (2R)-1-[2-(5-bromothiophen-2-yl)ethylamino]propan-2-ol

(2R)-1-[2-(5-bromothiophen-2-yl)ethylamino]propan-2-ol (PubChem CID 96666636) has the molecular formula C9H14BrNOS and a molecular weight of 264.19 g/mol. Its IUPAC name is (2R)-1-[2-(5-bromothiophen-2-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[2-(5-bromothiophen-2-yl)ethylamino]propan-2-ol
PubChem CID96666636
Molecular FormulaC9H14BrNOS
Molecular Weight264.19 g/mol
Exact Mass263.00
IUPAC Name(2R)-1-[2-(5-bromothiophen-2-yl)ethylamino]propan-2-ol
SMILESC[C@@H](O)CNCCc1ccc(Br)s1
InChIInChI=1S/C9H14BrNOS/c1-7(12)6-11-5-4-8-2-3-9(10)13-8/h2-3,7,11-12H,4-6H2,1H3/t7-/m1/s1
InChIKeyNRNMQSHDQZYTTG-SSDOTTSWSA-N
XLogP2.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.19
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(5-bromothiophen-2-yl)ethylamino]-1-(4-propan-2-ylphenyl)ethanol
CID 106046953
N-[2-(5-bromothiophen-2-yl)ethyl]-2-methylpentan-1-amine
CID 106043149
N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxypropanamide
CID 115140909
ethyl 3-[2-(5-bromothiophen-2-yl)ethylamino]-2-methylpropanoate
CID 106037128
3-[2-(5-bromothiophen-2-yl)ethylamino]-2-(methylamino)propanoic acid
CID 115256232
2-[2-(5-bromothiophen-2-yl)ethylamino]-1-(4-chlorophenyl)ethanol
CID 106046807
N-[2-(5-bromothiophen-2-yl)ethyl]-3-methylbutan-2-amine
CID 115712476
2-(5-bromothiophen-2-yl)-N-iodoethanamine
CID 134427981
(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]propanamide
CID 103794381
2-[4-(5-bromothiophen-2-yl)butan-2-ylamino]ethanol
CID 83980502
N-[2-(5-bromothiophen-2-yl)ethyl]-2-piperazin-1-ylpropan-1-amine
CID 115255758
5-(5-bromothiophen-2-yl)pentane-2,3-diol
CID 83935049

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(5-bromothiophen-2-yl)ethylamino]propan-2-ol?
The IUPAC name of (2R)-1-[2-(5-bromothiophen-2-yl)ethylamino]propan-2-ol (CID 96666636) is (2R)-1-[2-(5-bromothiophen-2-yl)ethylamino]propan-2-ol.
What is the SMILES notation for (2R)-1-[2-(5-bromothiophen-2-yl)ethylamino]propan-2-ol?
The canonical SMILES for (2R)-1-[2-(5-bromothiophen-2-yl)ethylamino]propan-2-ol is C[C@@H](O)CNCCc1ccc(Br)s1.
What is the InChIKey of (2R)-1-[2-(5-bromothiophen-2-yl)ethylamino]propan-2-ol?
The InChIKey is NRNMQSHDQZYTTG-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H14BrNOS/c1-7(12)6-11-5-4-8-2-3-9(10)13-8/h2-3,7,11-12H,4-6H2,1H3/t7-/m1/s1.
What are the key properties of (2R)-1-[2-(5-bromothiophen-2-yl)ethylamino]propan-2-ol?
(2R)-1-[2-(5-bromothiophen-2-yl)ethylamino]propan-2-ol has a molecular weight of 264.19 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(5-bromothiophen-2-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 96666636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).