N-ethyl-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine

C17H23N3O — CID 114712211

IUPACN-ethyl-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCCn1cncc1C1CC(NCC)c2ccccc2O1
InChIInChI=1S/C17H23N3O/c1-3-9-20-12-18-11-15(20)17-10-14(19-4-2)13-7-5-6-8-16(13)21-17/h5-8,11-12,14,17,19H,3-4,9-10H2,1-2H3
InChIKeyADQQDNHUUPBXIP-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.47
Rot. Bonds5

About N-ethyl-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine

N-ethyl-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114712211) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-ethyl-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID114712211
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-ethyl-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCCn1cncc1C1CC(NCC)c2ccccc2O1
InChIInChI=1S/C17H23N3O/c1-3-9-20-12-18-11-15(20)17-10-14(19-4-2)13-7-5-6-8-16(13)21-17/h5-8,11-12,14,17,19H,3-4,9-10H2,1-2H3
InChIKeyADQQDNHUUPBXIP-UHFFFAOYSA-N
XLogP3.47
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-ethyl-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine (CID 114712211) is N-ethyl-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-ethyl-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-ethyl-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine is CCCn1cncc1C1CC(NCC)c2ccccc2O1.
What is the InChIKey of N-ethyl-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is ADQQDNHUUPBXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-9-20-12-18-11-15(20)17-10-14(19-4-2)13-7-5-6-8-16(13)21-17/h5-8,11-12,14,17,19H,3-4,9-10H2,1-2H3.
What are the key properties of N-ethyl-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine?
N-ethyl-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 285.39 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114712211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).