3-(8-methoxy-4aH-benzo[c]chromen-6-yl)-N-methylpropan-1-amine

C18H21NO2 — CID 172746965

IUPAC3-(8-methoxy-4aH-benzo[c]chromen-6-yl)-N-methylpropan-1-amine
SMILESCNCCCC1=c2cc(OC)ccc2=C2C=CC=CC2O1
InChIInChI=1S/C18H21NO2/c1-19-11-5-8-18-16-12-13(20-2)9-10-14(16)15-6-3-4-7-17(15)21-18/h3-4,6-7,9-10,12,17,19H,5,8,11H2,1-2H3
InChIKeyJVVLXRUNVBTPTA-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.48
Rot. Bonds5

About 3-(8-methoxy-4aH-benzo[c]chromen-6-yl)-N-methylpropan-1-amine

3-(8-methoxy-4aH-benzo[c]chromen-6-yl)-N-methylpropan-1-amine (PubChem CID 172746965) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-(8-methoxy-4aH-benzo[c]chromen-6-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(8-methoxy-4aH-benzo[c]chromen-6-yl)-N-methylpropan-1-amine
PubChem CID172746965
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name3-(8-methoxy-4aH-benzo[c]chromen-6-yl)-N-methylpropan-1-amine
SMILESCNCCCC1=c2cc(OC)ccc2=C2C=CC=CC2O1
InChIInChI=1S/C18H21NO2/c1-19-11-5-8-18-16-12-13(20-2)9-10-14(16)15-6-3-4-7-17(15)21-18/h3-4,6-7,9-10,12,17,19H,5,8,11H2,1-2H3
InChIKeyJVVLXRUNVBTPTA-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(8-methoxy-4aH-benzo[c]chromen-6-yl)-N-methylpropan-1-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 3-(8-methoxy-4aH-benzo[c]chromen-6-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(8-methoxy-4aH-benzo[c]chromen-6-yl)-N-methylpropan-1-amine (CID 172746965) is 3-(8-methoxy-4aH-benzo[c]chromen-6-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(8-methoxy-4aH-benzo[c]chromen-6-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(8-methoxy-4aH-benzo[c]chromen-6-yl)-N-methylpropan-1-amine is CNCCCC1=c2cc(OC)ccc2=C2C=CC=CC2O1.
What is the InChIKey of 3-(8-methoxy-4aH-benzo[c]chromen-6-yl)-N-methylpropan-1-amine?
The InChIKey is JVVLXRUNVBTPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-19-11-5-8-18-16-12-13(20-2)9-10-14(16)15-6-3-4-7-17(15)21-18/h3-4,6-7,9-10,12,17,19H,5,8,11H2,1-2H3.
What are the key properties of 3-(8-methoxy-4aH-benzo[c]chromen-6-yl)-N-methylpropan-1-amine?
3-(8-methoxy-4aH-benzo[c]chromen-6-yl)-N-methylpropan-1-amine has a molecular weight of 283.37 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-methoxy-4aH-benzo[c]chromen-6-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 172746965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).