N-[1-(1-benzofuran-2-yl)ethyl]butan-2-amine

C14H19NO — CID 43190306

IUPACN-[1-(1-benzofuran-2-yl)ethyl]butan-2-amine
SMILESCCC(C)NC(C)c1cc2ccccc2o1
InChIInChI=1S/C14H19NO/c1-4-10(2)15-11(3)14-9-12-7-5-6-8-13(12)16-14/h5-11,15H,4H2,1-3H3
InChIKeyQHCHHTBZCFMXFD-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.88
Rot. Bonds4

About N-[1-(1-benzofuran-2-yl)ethyl]butan-2-amine

N-[1-(1-benzofuran-2-yl)ethyl]butan-2-amine (PubChem CID 43190306) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]butan-2-amine.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]butan-2-amine
PubChem CID43190306
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]butan-2-amine
SMILESCCC(C)NC(C)c1cc2ccccc2o1
InChIInChI=1S/C14H19NO/c1-4-10(2)15-11(3)14-9-12-7-5-6-8-13(12)16-14/h5-11,15H,4H2,1-3H3
InChIKeyQHCHHTBZCFMXFD-UHFFFAOYSA-N
XLogP3.88
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(1-benzofuran-2-yl)ethyl]butan-2-amine 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

N-[1-(1-benzofuran-2-yl)ethyl]heptan-3-amine
CID 63944731
N-[1-(1-benzofuran-2-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61471730
N-[1-(1-benzofuran-2-yl)ethyl]pent-4-yn-2-amine
CID 115725359
N-[1-(1-benzofuran-2-yl)ethyl]-1-(furan-2-yl)propan-1-amine
CID 62631823
N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutan-1-amine
CID 43224187
2-butan-2-yl-1-benzofuran
CID 12065919
(2S)-2-[1-(1-benzofuran-2-yl)ethylamino]-2-phenylethanol
CID 103784129
3-[1-(1-benzofuran-2-yl)ethylamino]-4-methylpentan-1-ol
CID 103786549
1-[1-(1-benzofuran-2-yl)ethylamino]-3-ethylpentan-2-ol
CID 103783098
1-(1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine
CID 79444773
N-[1-(1-benzofuran-2-yl)ethyl]hexan-1-amine
CID 43080080
N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylaniline
CID 43102235

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]butan-2-amine?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]butan-2-amine (CID 43190306) is N-[1-(1-benzofuran-2-yl)ethyl]butan-2-amine.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]butan-2-amine?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]butan-2-amine is CCC(C)NC(C)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]butan-2-amine?
The InChIKey is QHCHHTBZCFMXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-4-10(2)15-11(3)14-9-12-7-5-6-8-13(12)16-14/h5-11,15H,4H2,1-3H3.
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]butan-2-amine?
N-[1-(1-benzofuran-2-yl)ethyl]butan-2-amine has a molecular weight of 217.31 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]butan-2-amine is sourced from PubChem (CID 43190306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).