1-bromo-3-[ethyl(furan-2-ylmethyl)amino]propan-2-ol

C10H16BrNO2 — CID 112561353

IUPAC1-bromo-3-[ethyl(furan-2-ylmethyl)amino]propan-2-ol
SMILESCCN(Cc1ccco1)CC(O)CBr
InChIInChI=1S/C10H16BrNO2/c1-2-12(7-9(13)6-11)8-10-4-3-5-14-10/h3-5,9,13H,2,6-8H2,1H3
InChIKeyUDEGMTFMZDRTDY-UHFFFAOYSA-N
MW262.15 g/mol
LogP1.86
Rot. Bonds6

About 1-bromo-3-[ethyl(furan-2-ylmethyl)amino]propan-2-ol

1-bromo-3-[ethyl(furan-2-ylmethyl)amino]propan-2-ol (PubChem CID 112561353) has the molecular formula C10H16BrNO2 and a molecular weight of 262.15 g/mol. Its IUPAC name is 1-bromo-3-[ethyl(furan-2-ylmethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-bromo-3-[ethyl(furan-2-ylmethyl)amino]propan-2-ol
PubChem CID112561353
Molecular FormulaC10H16BrNO2
Molecular Weight262.15 g/mol
Exact Mass261.04
IUPAC Name1-bromo-3-[ethyl(furan-2-ylmethyl)amino]propan-2-ol
SMILESCCN(Cc1ccco1)CC(O)CBr
InChIInChI=1S/C10H16BrNO2/c1-2-12(7-9(13)6-11)8-10-4-3-5-14-10/h3-5,9,13H,2,6-8H2,1H3
InChIKeyUDEGMTFMZDRTDY-UHFFFAOYSA-N
XLogP1.86
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[ethyl(furan-2-ylmethyl)amino]butan-2-ol
CID 61423764
1-[ethyl(furan-2-ylmethyl)amino]-3-(propan-2-ylamino)propan-2-ol
CID 61423306
2,2-diethoxy-N-ethyl-N-(furan-2-ylmethyl)ethanamine
CID 63619200
3-[ethyl(furan-2-ylmethyl)amino]-2-methylpropanenitrile
CID 61423405
1-[furan-2-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]pentan-2-ol
CID 24713749
1-[ethyl(furan-2-ylmethyl)amino]-3-methylbutan-2-one
CID 79395471
2-ethoxy-N'-ethyl-N'-(furan-2-ylmethyl)propane-1,3-diamine
CID 63069854
(2S)-1-[furan-2-ylmethyl(2-methylpropyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 93161246
N-ethyl-N-(furan-2-ylmethyl)prop-2-yn-1-amine
CID 60970119
(2S)-1-[furan-2-ylmethyl(3-methoxypropyl)amino]pentan-2-ol
CID 93161280
N'-ethyl-N,N'-bis(furan-2-ylmethyl)ethane-1,2-diamine
CID 62558930
2-(bromomethyl)-N,2-diethyl-N-(furan-2-ylmethyl)butan-1-amine
CID 65003976

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[ethyl(furan-2-ylmethyl)amino]propan-2-ol?
The IUPAC name of 1-bromo-3-[ethyl(furan-2-ylmethyl)amino]propan-2-ol (CID 112561353) is 1-bromo-3-[ethyl(furan-2-ylmethyl)amino]propan-2-ol.
What is the SMILES notation for 1-bromo-3-[ethyl(furan-2-ylmethyl)amino]propan-2-ol?
The canonical SMILES for 1-bromo-3-[ethyl(furan-2-ylmethyl)amino]propan-2-ol is CCN(Cc1ccco1)CC(O)CBr.
What is the InChIKey of 1-bromo-3-[ethyl(furan-2-ylmethyl)amino]propan-2-ol?
The InChIKey is UDEGMTFMZDRTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO2/c1-2-12(7-9(13)6-11)8-10-4-3-5-14-10/h3-5,9,13H,2,6-8H2,1H3.
What are the key properties of 1-bromo-3-[ethyl(furan-2-ylmethyl)amino]propan-2-ol?
1-bromo-3-[ethyl(furan-2-ylmethyl)amino]propan-2-ol has a molecular weight of 262.15 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[ethyl(furan-2-ylmethyl)amino]propan-2-ol is sourced from PubChem (CID 112561353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).