N-(3-propoxyphenyl)-3,4-dihydro-2H-chromen-4-amine

C18H21NO2 — CID 43693706

IUPACN-(3-propoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCCOc1cccc(NC2CCOc3ccccc32)c1
InChIInChI=1S/C18H21NO2/c1-2-11-20-15-7-5-6-14(13-15)19-17-10-12-21-18-9-4-3-8-16(17)18/h3-9,13,17,19H,2,10-12H2,1H3
InChIKeyIVQXAGRGEWSNFL-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.41
Rot. Bonds5

About N-(3-propoxyphenyl)-3,4-dihydro-2H-chromen-4-amine

N-(3-propoxyphenyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43693706) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-(3-propoxyphenyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-(3-propoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID43693706
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-(3-propoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCCOc1cccc(NC2CCOc3ccccc32)c1
InChIInChI=1S/C18H21NO2/c1-2-11-20-15-7-5-6-14(13-15)19-17-10-12-21-18-9-4-3-8-16(17)18/h3-9,13,17,19H,2,10-12H2,1H3
InChIKeyIVQXAGRGEWSNFL-UHFFFAOYSA-N
XLogP4.41
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-propoxyphenyl)-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

Related Compounds

N-[2-(3-methylphenoxy)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 60694297
N-(3-propoxyphenyl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 43783332
N-(3,4-dihydro-2H-chromen-4-yl)-2-[3-(2-methoxyethoxy)anilino]acetamide
CID 86826322
1-(3-propoxyanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682035
N-methoxy-6-propoxy-3,4-dihydro-2H-chromen-4-amine
CID 81481795
N-[2-(3-bromophenoxy)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 60694319
N-(3-bromo-5-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 82860676
N-[3-[2-[[amino-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]ethoxy]phenyl]acetamide
CID 111600290
N-(3-phenylcyclobutyl)-3-propoxyaniline
CID 43693771
N-(3-ethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 43765168
N-(2,3-dimethylcyclohexyl)-3-propoxyaniline
CID 64761419
2-[4-(3,4-dihydro-2H-chromen-4-ylamino)phenoxy]acetonitrile
CID 43203323

Frequently Asked Questions

What is the IUPAC name of N-(3-propoxyphenyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-(3-propoxyphenyl)-3,4-dihydro-2H-chromen-4-amine (CID 43693706) is N-(3-propoxyphenyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-(3-propoxyphenyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-(3-propoxyphenyl)-3,4-dihydro-2H-chromen-4-amine is CCCOc1cccc(NC2CCOc3ccccc32)c1.
What is the InChIKey of N-(3-propoxyphenyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is IVQXAGRGEWSNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-2-11-20-15-7-5-6-14(13-15)19-17-10-12-21-18-9-4-3-8-16(17)18/h3-9,13,17,19H,2,10-12H2,1H3.
What are the key properties of N-(3-propoxyphenyl)-3,4-dihydro-2H-chromen-4-amine?
N-(3-propoxyphenyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 283.37 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propoxyphenyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43693706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).