3-[1-(furan-3-yl)ethylamino]-4,4-dimethylpentan-1-ol

C13H23NO2 — CID 104926019

IUPAC3-[1-(furan-3-yl)ethylamino]-4,4-dimethylpentan-1-ol
SMILESCC(NC(CCO)C(C)(C)C)c1ccoc1
InChIInChI=1S/C13H23NO2/c1-10(11-6-8-16-9-11)14-12(5-7-15)13(2,3)4/h6,8-10,12,14-15H,5,7H2,1-4H3
InChIKeyOBDBCPHKDJQTNL-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.73
Rot. Bonds5

About 3-[1-(furan-3-yl)ethylamino]-4,4-dimethylpentan-1-ol

3-[1-(furan-3-yl)ethylamino]-4,4-dimethylpentan-1-ol (PubChem CID 104926019) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 3-[1-(furan-3-yl)ethylamino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-[1-(furan-3-yl)ethylamino]-4,4-dimethylpentan-1-ol
PubChem CID104926019
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name3-[1-(furan-3-yl)ethylamino]-4,4-dimethylpentan-1-ol
SMILESCC(NC(CCO)C(C)(C)C)c1ccoc1
InChIInChI=1S/C13H23NO2/c1-10(11-6-8-16-9-11)14-12(5-7-15)13(2,3)4/h6,8-10,12,14-15H,5,7H2,1-4H3
InChIKeyOBDBCPHKDJQTNL-UHFFFAOYSA-N
XLogP2.73
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[1-(furan-3-yl)ethylamino]-4,4-dimethylpentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(furan-2-yl)ethylamino]-4,4-dimethylpentan-1-ol
CID 104663612
3-[1-(3,5-dimethylphenyl)ethylamino]-4,4-dimethylpentan-1-ol
CID 104926046
3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-4,4-dimethylpentan-1-ol
CID 104925982
5-[1-(furan-3-yl)ethylamino]-4,4-dimethylpentan-1-ol
CID 103898963
3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-4,4-dimethylpentan-1-ol
CID 104663604
4,4,4-trifluoro-N-[1-(furan-3-yl)ethyl]butan-2-amine
CID 115894673
4,4-dimethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]pentan-1-ol
CID 104925970
(1R)-1-(furan-3-yl)propane-1,3-diol
CID 124583240
4,4-dimethyl-3-[1-(1,3-thiazol-4-yl)ethylamino]pentan-1-ol
CID 104925969
1-[1-(furan-3-yl)ethylamino]-2,3-dimethylpentan-2-ol
CID 115719534
N-[1-(furan-3-yl)ethyl]-3-methoxybutan-2-amine
CID 115894684
N-[3-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-3-oxopropyl]furan-3-carboxamide
CID 106353047

Frequently Asked Questions

What is the IUPAC name of 3-[1-(furan-3-yl)ethylamino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-[1-(furan-3-yl)ethylamino]-4,4-dimethylpentan-1-ol (CID 104926019) is 3-[1-(furan-3-yl)ethylamino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-[1-(furan-3-yl)ethylamino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-[1-(furan-3-yl)ethylamino]-4,4-dimethylpentan-1-ol is CC(NC(CCO)C(C)(C)C)c1ccoc1.
What is the InChIKey of 3-[1-(furan-3-yl)ethylamino]-4,4-dimethylpentan-1-ol?
The InChIKey is OBDBCPHKDJQTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10(11-6-8-16-9-11)14-12(5-7-15)13(2,3)4/h6,8-10,12,14-15H,5,7H2,1-4H3.
What are the key properties of 3-[1-(furan-3-yl)ethylamino]-4,4-dimethylpentan-1-ol?
3-[1-(furan-3-yl)ethylamino]-4,4-dimethylpentan-1-ol has a molecular weight of 225.33 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(furan-3-yl)ethylamino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 104926019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).