2-(furan-2-ylmethylamino)butan-1-ol

C9H15NO2 — CID 4722612

IUPAC2-(furan-2-ylmethylamino)butan-1-ol
SMILESCCC(CO)NCc1ccco1
InChIInChI=1S/C9H15NO2/c1-2-8(7-11)10-6-9-4-3-5-12-9/h3-5,8,10-11H,2,6-7H2,1H3
InChIKeyBCWSSYQZJXXNJK-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.14
Rot. Bonds5

About 2-(furan-2-ylmethylamino)butan-1-ol

2-(furan-2-ylmethylamino)butan-1-ol (PubChem CID 4722612) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-(furan-2-ylmethylamino)butan-1-ol.

Molecular Properties

Compound Name2-(furan-2-ylmethylamino)butan-1-ol
PubChem CID4722612
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-(furan-2-ylmethylamino)butan-1-ol
SMILESCCC(CO)NCc1ccco1
InChIInChI=1S/C9H15NO2/c1-2-8(7-11)10-6-9-4-3-5-12-9/h3-5,8,10-11H,2,6-7H2,1H3
InChIKeyBCWSSYQZJXXNJK-UHFFFAOYSA-N
XLogP1.14
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-N-(furan-2-ylmethyl)-3-methylpentan-2-amine
CID 28608389
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]butan-1-ol
CID 110884307
3-(furan-2-ylmethylamino)-4-methylpentan-1-ol
CID 83818885
N-(furan-2-ylmethyl)-2,2-dimethylpentan-3-amine;hydrochloride
CID 115616067
ethyl 2-(furan-2-ylmethylamino)butanoate
CID 64667944
(2S)-2-[1-(furan-2-yl)propylamino]butan-1-ol
CID 104980626
(2R)-2-[1-(furan-2-yl)ethylamino]butan-1-ol
CID 103922442
2-[(5-phenylfuran-2-yl)methylamino]butan-1-ol;hydrochloride
CID 6463695
1-ethoxy-N-(furan-2-ylmethyl)-3-methylbutan-2-amine
CID 103271155
5-(furan-2-ylmethylamino)-2-methylpentan-1-ol
CID 103859513
2-bromo-N-(furan-2-ylmethyl)butanamide
CID 25219706
N-(furan-2-ylmethyl)-1,1-diphenylmethanamine
CID 15830516

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylamino)butan-1-ol?
The IUPAC name of 2-(furan-2-ylmethylamino)butan-1-ol (CID 4722612) is 2-(furan-2-ylmethylamino)butan-1-ol.
What is the SMILES notation for 2-(furan-2-ylmethylamino)butan-1-ol?
The canonical SMILES for 2-(furan-2-ylmethylamino)butan-1-ol is CCC(CO)NCc1ccco1.
What is the InChIKey of 2-(furan-2-ylmethylamino)butan-1-ol?
The InChIKey is BCWSSYQZJXXNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-2-8(7-11)10-6-9-4-3-5-12-9/h3-5,8,10-11H,2,6-7H2,1H3.
What are the key properties of 2-(furan-2-ylmethylamino)butan-1-ol?
2-(furan-2-ylmethylamino)butan-1-ol has a molecular weight of 169.22 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylamino)butan-1-ol is sourced from PubChem (CID 4722612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).