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

C18H21NO2 — CID 151555350

IUPAC3-(1-methoxy-4aH-benzo[c]chromen-6-yl)-N-methylpropan-1-amine
SMILESCNCCCC1=c2ccccc2=C2C(OC)=CC=CC2O1
InChIInChI=1S/C18H21NO2/c1-19-12-6-11-15-13-7-3-4-8-14(13)18-16(20-2)9-5-10-17(18)21-15/h3-5,7-10,17,19H,6,11-12H2,1-2H3
InChIKeyQBISQQYDGLCJHT-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.44
Rot. Bonds5

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

3-(1-methoxy-4aH-benzo[c]chromen-6-yl)-N-methylpropan-1-amine (PubChem CID 151555350) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-(1-methoxy-4aH-benzo[c]chromen-6-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(1-methoxy-4aH-benzo[c]chromen-6-yl)-N-methylpropan-1-amine
PubChem CID151555350
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name3-(1-methoxy-4aH-benzo[c]chromen-6-yl)-N-methylpropan-1-amine
SMILESCNCCCC1=c2ccccc2=C2C(OC)=CC=CC2O1
InChIInChI=1S/C18H21NO2/c1-19-12-6-11-15-13-7-3-4-8-14(13)18-16(20-2)9-5-10-17(18)21-15/h3-5,7-10,17,19H,6,11-12H2,1-2H3
InChIKeyQBISQQYDGLCJHT-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxy-4aH-benzo[c]chromen-6-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(1-methoxy-4aH-benzo[c]chromen-6-yl)-N-methylpropan-1-amine (CID 151555350) is 3-(1-methoxy-4aH-benzo[c]chromen-6-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(1-methoxy-4aH-benzo[c]chromen-6-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(1-methoxy-4aH-benzo[c]chromen-6-yl)-N-methylpropan-1-amine is CNCCCC1=c2ccccc2=C2C(OC)=CC=CC2O1.
What is the InChIKey of 3-(1-methoxy-4aH-benzo[c]chromen-6-yl)-N-methylpropan-1-amine?
The InChIKey is QBISQQYDGLCJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-19-12-6-11-15-13-7-3-4-8-14(13)18-16(20-2)9-5-10-17(18)21-15/h3-5,7-10,17,19H,6,11-12H2,1-2H3.
What are the key properties of 3-(1-methoxy-4aH-benzo[c]chromen-6-yl)-N-methylpropan-1-amine?
3-(1-methoxy-4aH-benzo[c]chromen-6-yl)-N-methylpropan-1-amine has a molecular weight of 283.37 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxy-4aH-benzo[c]chromen-6-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 151555350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).