2-(5-bromofuran-2-yl)-2-[2-(dimethylamino)ethylamino]propan-1-ol

C11H19BrN2O2 — CID 104653920

IUPAC2-(5-bromofuran-2-yl)-2-[2-(dimethylamino)ethylamino]propan-1-ol
SMILESCN(C)CCNC(C)(CO)c1ccc(Br)o1
InChIInChI=1S/C11H19BrN2O2/c1-11(8-15,13-6-7-14(2)3)9-4-5-10(12)16-9/h4-5,13,15H,6-8H2,1-3H3
InChIKeyONTSZIGNTFPOSR-UHFFFAOYSA-N
MW291.19 g/mol
LogP1.40
Rot. Bonds6

About 2-(5-bromofuran-2-yl)-2-[2-(dimethylamino)ethylamino]propan-1-ol

2-(5-bromofuran-2-yl)-2-[2-(dimethylamino)ethylamino]propan-1-ol (PubChem CID 104653920) has the molecular formula C11H19BrN2O2 and a molecular weight of 291.19 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-2-[2-(dimethylamino)ethylamino]propan-1-ol.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-2-[2-(dimethylamino)ethylamino]propan-1-ol
PubChem CID104653920
Molecular FormulaC11H19BrN2O2
Molecular Weight291.19 g/mol
Exact Mass290.06
IUPAC Name2-(5-bromofuran-2-yl)-2-[2-(dimethylamino)ethylamino]propan-1-ol
SMILESCN(C)CCNC(C)(CO)c1ccc(Br)o1
InChIInChI=1S/C11H19BrN2O2/c1-11(8-15,13-6-7-14(2)3)9-4-5-10(12)16-9/h4-5,13,15H,6-8H2,1-3H3
InChIKeyONTSZIGNTFPOSR-UHFFFAOYSA-N
XLogP1.40
TPSA48.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromofuran-2-yl)-2-[2-(dimethylamino)ethylamino]propanamide
CID 104653361
2-(5-bromofuran-2-yl)-2-(butan-2-ylamino)propan-1-ol
CID 104653909
2-(5-bromofuran-2-yl)-2-(4-fluoroanilino)propan-1-ol
CID 113437691
2-(5-bromofuran-2-yl)-2-(4-chloroanilino)propan-1-ol
CID 104653916
2-[2-(dimethylamino)ethylamino]-2-(3-methylphenyl)propan-1-ol
CID 61309688
2-[2-(dimethylamino)ethylamino]-2-[4-(trifluoromethoxy)phenyl]propan-1-ol
CID 61056755
2-(5-bromofuran-2-yl)propan-2-ol
CID 66520373
1-(5-bromofuran-2-yl)-N-[2-(dimethylamino)ethyl]ethane-1,2-diamine
CID 65383740
2-(3-bromophenyl)-2-[2-(diethylamino)ethylamino]propan-1-ol
CID 61048823
2-(4-bromophenyl)-2-[2-(dimethylamino)ethylamino]propanamide
CID 54891318
O-[2-(5-bromofuran-2-yl)propan-2-yl]hydroxylamine
CID 117104833
2-(5-bromo-2-fluorophenyl)-2-[2-(diethylamino)ethylamino]propan-1-ol
CID 82973754

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-2-[2-(dimethylamino)ethylamino]propan-1-ol?
The IUPAC name of 2-(5-bromofuran-2-yl)-2-[2-(dimethylamino)ethylamino]propan-1-ol (CID 104653920) is 2-(5-bromofuran-2-yl)-2-[2-(dimethylamino)ethylamino]propan-1-ol.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-2-[2-(dimethylamino)ethylamino]propan-1-ol?
The canonical SMILES for 2-(5-bromofuran-2-yl)-2-[2-(dimethylamino)ethylamino]propan-1-ol is CN(C)CCNC(C)(CO)c1ccc(Br)o1.
What is the InChIKey of 2-(5-bromofuran-2-yl)-2-[2-(dimethylamino)ethylamino]propan-1-ol?
The InChIKey is ONTSZIGNTFPOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN2O2/c1-11(8-15,13-6-7-14(2)3)9-4-5-10(12)16-9/h4-5,13,15H,6-8H2,1-3H3.
What are the key properties of 2-(5-bromofuran-2-yl)-2-[2-(dimethylamino)ethylamino]propan-1-ol?
2-(5-bromofuran-2-yl)-2-[2-(dimethylamino)ethylamino]propan-1-ol has a molecular weight of 291.19 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-2-[2-(dimethylamino)ethylamino]propan-1-ol is sourced from PubChem (CID 104653920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).