N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,4-dihydro-2H-chromen-4-amine

C18H25NO — CID 43193389

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCC(NC1CCOc2ccccc21)C1CC2CCC1C2
InChIInChI=1S/C18H25NO/c1-12(16-11-13-6-7-14(16)10-13)19-17-8-9-20-18-5-3-2-4-15(17)18/h2-5,12-14,16-17,19H,6-11H2,1H3
InChIKeyVVLHWLVUKPDXFR-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.92
Rot. Bonds3

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,4-dihydro-2H-chromen-4-amine

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43193389) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,4-dihydro-2H-chromen-4-amine
PubChem CID43193389
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCC(NC1CCOc2ccccc21)C1CC2CCC1C2
InChIInChI=1S/C18H25NO/c1-12(16-11-13-6-7-14(16)10-13)19-17-8-9-20-18-5-3-2-4-15(17)18/h2-5,12-14,16-17,19H,6-11H2,1H3
InChIKeyVVLHWLVUKPDXFR-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-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

1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2,3-dihydro-1H-inden-4-ol
CID 43636969
3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3H-2-benzofuran-1-one
CID 82533830
N-(3-ethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 63842967
2-N-(3,4-dihydro-2H-chromen-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82939350
1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2,3-dihydro-1H-inden-5-ol
CID 107681780
N-propan-2-yloxy-3,4-dihydro-2H-chromen-4-amine
CID 91322782
ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 143399161
N-(4-methylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 115721989
N-(2-methyl-1-thiophen-2-ylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 43722981
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82686630
N-[1-(1H-pyrazol-5-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 54881846
N-(1-thiophen-3-ylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 62091395

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,4-dihydro-2H-chromen-4-amine (CID 43193389) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,4-dihydro-2H-chromen-4-amine is CC(NC1CCOc2ccccc21)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is VVLHWLVUKPDXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-12(16-11-13-6-7-14(16)10-13)19-17-8-9-20-18-5-3-2-4-15(17)18/h2-5,12-14,16-17,19H,6-11H2,1H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,4-dihydro-2H-chromen-4-amine?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 271.40 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43193389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).