(2S)-2-[1-(5-bromofuran-2-yl)ethylamino]butan-1-ol

C10H16BrNO2 — CID 104980490

IUPAC(2S)-2-[1-(5-bromofuran-2-yl)ethylamino]butan-1-ol
SMILESCC[C@@H](CO)NC(C)c1ccc(Br)o1
InChIInChI=1S/C10H16BrNO2/c1-3-8(6-13)12-7(2)9-4-5-10(11)14-9/h4-5,7-8,12-13H,3,6H2,1-2H3/t7?,8-/m0/s1
InChIKeyPIFROLFMGOCVCB-MQWKRIRWSA-N
MW262.15 g/mol
LogP2.46
Rot. Bonds5

About (2S)-2-[1-(5-bromofuran-2-yl)ethylamino]butan-1-ol

(2S)-2-[1-(5-bromofuran-2-yl)ethylamino]butan-1-ol (PubChem CID 104980490) has the molecular formula C10H16BrNO2 and a molecular weight of 262.15 g/mol. Its IUPAC name is (2S)-2-[1-(5-bromofuran-2-yl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[1-(5-bromofuran-2-yl)ethylamino]butan-1-ol
PubChem CID104980490
Molecular FormulaC10H16BrNO2
Molecular Weight262.15 g/mol
Exact Mass261.04
IUPAC Name(2S)-2-[1-(5-bromofuran-2-yl)ethylamino]butan-1-ol
SMILESCC[C@@H](CO)NC(C)c1ccc(Br)o1
InChIInChI=1S/C10H16BrNO2/c1-3-8(6-13)12-7(2)9-4-5-10(11)14-9/h4-5,7-8,12-13H,3,6H2,1-2H3/t7?,8-/m0/s1
InChIKeyPIFROLFMGOCVCB-MQWKRIRWSA-N
XLogP2.46
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-bromofuran-2-yl)ethyl]hexan-3-amine
CID 104652938
2-[1-(5-methylfuran-2-yl)ethylamino]butan-1-ol
CID 43207118
N-[1-(5-bromofuran-2-yl)ethyl]pentan-2-amine
CID 104652004
N-[1-(5-bromofuran-2-yl)ethyl]hexan-2-amine
CID 104652943
(2R)-2-[1-(furan-2-yl)ethylamino]butan-1-ol
CID 103922442
N-[1-(5-bromofuran-2-yl)ethyl]-1-(4-methylphenyl)propan-1-amine
CID 104652485
N-[1-(5-bromofuran-2-yl)ethyl]-6-methylheptan-2-amine
CID 104652163
(2S)-2-[1-(5-bromothiophen-2-yl)ethylamino]butan-1-ol
CID 104980461
2-N-[1-(5-bromofuran-2-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 113437510
2-[1-(3-bromothiophen-2-yl)ethylamino]butan-1-ol
CID 43771158
2-[1-(5-bromofuran-2-yl)ethylamino]-N,N-diethylpropanamide
CID 104652645
(2S)-2-[1-(3-bromophenyl)ethylamino]butan-1-ol
CID 104980716

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(5-bromofuran-2-yl)ethylamino]butan-1-ol?
The IUPAC name of (2S)-2-[1-(5-bromofuran-2-yl)ethylamino]butan-1-ol (CID 104980490) is (2S)-2-[1-(5-bromofuran-2-yl)ethylamino]butan-1-ol.
What is the SMILES notation for (2S)-2-[1-(5-bromofuran-2-yl)ethylamino]butan-1-ol?
The canonical SMILES for (2S)-2-[1-(5-bromofuran-2-yl)ethylamino]butan-1-ol is CC[C@@H](CO)NC(C)c1ccc(Br)o1.
What is the InChIKey of (2S)-2-[1-(5-bromofuran-2-yl)ethylamino]butan-1-ol?
The InChIKey is PIFROLFMGOCVCB-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H16BrNO2/c1-3-8(6-13)12-7(2)9-4-5-10(11)14-9/h4-5,7-8,12-13H,3,6H2,1-2H3/t7?,8-/m0/s1.
What are the key properties of (2S)-2-[1-(5-bromofuran-2-yl)ethylamino]butan-1-ol?
(2S)-2-[1-(5-bromofuran-2-yl)ethylamino]butan-1-ol has a molecular weight of 262.15 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(5-bromofuran-2-yl)ethylamino]butan-1-ol is sourced from PubChem (CID 104980490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).