5-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine

C17H21N3O — CID 43782617

IUPAC5-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine
SMILESCC(Nc1ccc(N(C)C)nc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H21N3O/c1-12(13-4-6-16-14(10-13)8-9-21-16)19-15-5-7-17(18-11-15)20(2)3/h4-7,10-12,19H,8-9H2,1-3H3
InChIKeyGRDNKZPXRDAQLX-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.26
Rot. Bonds4

About 5-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine

5-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine (PubChem CID 43782617) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 5-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine
PubChem CID43782617
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name5-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine
SMILESCC(Nc1ccc(N(C)C)nc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H21N3O/c1-12(13-4-6-16-14(10-13)8-9-21-16)19-15-5-7-17(18-11-15)20(2)3/h4-7,10-12,19H,8-9H2,1-3H3
InChIKeyGRDNKZPXRDAQLX-UHFFFAOYSA-N
XLogP3.26
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine 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-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyridin-3-amine
CID 43756711
2,6-dichloro-4-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]phenol
CID 107678862
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-iodoaniline
CID 43773391
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 107648489
4-bromo-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methoxyaniline
CID 82859890
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-6-fluoropyridin-2-amine
CID 115598197
4-chloro-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyridin-3-amine
CID 83167004
2,4,6-tribromo-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]aniline
CID 43773640
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methoxyaniline
CID 43757843
2-[4-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]pyrazol-1-yl]acetamide
CID 43783595
(1R)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-pyridin-4-ylethanamine
CID 81406233
4-bromo-2,3-dichloro-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]aniline
CID 107787470

Frequently Asked Questions

What is the IUPAC name of 5-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine?
The IUPAC name of 5-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine (CID 43782617) is 5-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine.
What is the SMILES notation for 5-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine?
The canonical SMILES for 5-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine is CC(Nc1ccc(N(C)C)nc1)c1ccc2c(c1)CCO2.
What is the InChIKey of 5-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine?
The InChIKey is GRDNKZPXRDAQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12(13-4-6-16-14(10-13)8-9-21-16)19-15-5-7-17(18-11-15)20(2)3/h4-7,10-12,19H,8-9H2,1-3H3.
What are the key properties of 5-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine?
5-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine has a molecular weight of 283.38 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine is sourced from PubChem (CID 43782617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).