4-amino-1-(5-methylfuran-2-yl)butan-1-ol

C9H15NO2 — CID 82412823

IUPAC4-amino-1-(5-methylfuran-2-yl)butan-1-ol
SMILESCc1ccc(C(O)CCCN)o1
InChIInChI=1S/C9H15NO2/c1-7-4-5-9(12-7)8(11)3-2-6-10/h4-5,8,11H,2-3,6,10H2,1H3
InChIKeyZOCPIBSHJZZZRD-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.36
Rot. Bonds4

About 4-amino-1-(5-methylfuran-2-yl)butan-1-ol

4-amino-1-(5-methylfuran-2-yl)butan-1-ol (PubChem CID 82412823) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 4-amino-1-(5-methylfuran-2-yl)butan-1-ol.

Molecular Properties

Compound Name4-amino-1-(5-methylfuran-2-yl)butan-1-ol
PubChem CID82412823
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name4-amino-1-(5-methylfuran-2-yl)butan-1-ol
SMILESCc1ccc(C(O)CCCN)o1
InChIInChI=1S/C9H15NO2/c1-7-4-5-9(12-7)8(11)3-2-6-10/h4-5,8,11H,2-3,6,10H2,1H3
InChIKeyZOCPIBSHJZZZRD-UHFFFAOYSA-N
XLogP1.36
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methylfuran-2-yl)butane-1,4-diol
CID 116861366
(1R)-4-bromo-1-(5-methylfuran-2-yl)butan-1-ol
CID 125492717
(1S)-1-(5-methylfuran-2-yl)pentane-1,5-diamine
CID 171231965
1-(5-methylfuran-2-yl)propan-1-ol
CID 14570731
2-(2-fluorophenyl)-1-(5-methylfuran-2-yl)ethanol
CID 63016605
3-amino-2-(5-methylfuran-2-yl)propan-1-ol
CID 83682054
(1S,2R)-1-amino-1-(5-methylfuran-2-yl)propan-2-ol
CID 131206305
2-(2,2-dimethylpropylamino)-1-(5-methylfuran-2-yl)ethanol
CID 115646640
3-methyl-6-(5-methylfuran-2-yl)heptan-2-ol
CID 101334228
2-amino-2-methyl-1-(5-methylfuran-2-yl)propan-1-ol
CID 82412815
1-(5-methylfuran-2-yl)hexan-1-amine;hydrochloride
CID 86262852
N'-methyl-1-(5-methylfuran-2-yl)butane-1,4-diamine
CID 116933940

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(5-methylfuran-2-yl)butan-1-ol?
The IUPAC name of 4-amino-1-(5-methylfuran-2-yl)butan-1-ol (CID 82412823) is 4-amino-1-(5-methylfuran-2-yl)butan-1-ol.
What is the SMILES notation for 4-amino-1-(5-methylfuran-2-yl)butan-1-ol?
The canonical SMILES for 4-amino-1-(5-methylfuran-2-yl)butan-1-ol is Cc1ccc(C(O)CCCN)o1.
What is the InChIKey of 4-amino-1-(5-methylfuran-2-yl)butan-1-ol?
The InChIKey is ZOCPIBSHJZZZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-7-4-5-9(12-7)8(11)3-2-6-10/h4-5,8,11H,2-3,6,10H2,1H3.
What are the key properties of 4-amino-1-(5-methylfuran-2-yl)butan-1-ol?
4-amino-1-(5-methylfuran-2-yl)butan-1-ol has a molecular weight of 169.22 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(5-methylfuran-2-yl)butan-1-ol is sourced from PubChem (CID 82412823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).