2-[4-methoxy-5-[(4-propylcyclohexa-2,4-dien-1-yl)methoxy]cyclohepta-1,3,5-trien-1-yl]-N-methylethanamine

C21H31NO2 — CID 138546137

IUPAC2-[4-methoxy-5-[(4-propylcyclohexa-2,4-dien-1-yl)methoxy]cyclohepta-1,3,5-trien-1-yl]-N-methylethanamine
SMILESCCCC1=CCC(COC2=CCC(CCNC)=CC=C2OC)C=C1
InChIInChI=1S/C21H31NO2/c1-4-5-17-6-8-19(9-7-17)16-24-21-13-11-18(14-15-22-2)10-12-20(21)23-3/h6-8,10,12-13,19,22H,4-5,9,11,14-16H2,1-3H3
InChIKeyFSKIQDGNJRYYSW-UHFFFAOYSA-N
MW329.48 g/mol
LogP4.66
Rot. Bonds9

About 2-[4-methoxy-5-[(4-propylcyclohexa-2,4-dien-1-yl)methoxy]cyclohepta-1,3,5-trien-1-yl]-N-methylethanamine

2-[4-methoxy-5-[(4-propylcyclohexa-2,4-dien-1-yl)methoxy]cyclohepta-1,3,5-trien-1-yl]-N-methylethanamine (PubChem CID 138546137) has the molecular formula C21H31NO2 and a molecular weight of 329.48 g/mol. Its IUPAC name is 2-[4-methoxy-5-[(4-propylcyclohexa-2,4-dien-1-yl)methoxy]cyclohepta-1,3,5-trien-1-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-methoxy-5-[(4-propylcyclohexa-2,4-dien-1-yl)methoxy]cyclohepta-1,3,5-trien-1-yl]-N-methylethanamine
PubChem CID138546137
Molecular FormulaC21H31NO2
Molecular Weight329.48 g/mol
Exact Mass329.24
IUPAC Name2-[4-methoxy-5-[(4-propylcyclohexa-2,4-dien-1-yl)methoxy]cyclohepta-1,3,5-trien-1-yl]-N-methylethanamine
SMILESCCCC1=CCC(COC2=CCC(CCNC)=CC=C2OC)C=C1
InChIInChI=1S/C21H31NO2/c1-4-5-17-6-8-19(9-7-17)16-24-21-13-11-18(14-15-22-2)10-12-20(21)23-3/h6-8,10,12-13,19,22H,4-5,9,11,14-16H2,1-3H3
InChIKeyFSKIQDGNJRYYSW-UHFFFAOYSA-N
XLogP4.66
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.48
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-methoxy-5-[(4-propylcyclohexa-2,4-dien-1-yl)methoxy]cyclohepta-1,3,5-trien-1-yl]-N-methylethanamine 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-(4,5-dimethoxy-3-methylcyclohexa-1,5-dien-1-yl)ethyl]-2-methylpropan-2-amine
CID 134402328
6-(6-methoxycyclohexa-1,3-dien-1-yl)oxy-N-methylhexan-1-amine
CID 142068853
(2S)-2-[(1S,2E,4Z)-1-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-4-yl]oxy-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]morpholine
CID 143095938
(4E,6Z)-4-ethenyl-N-methyl-3-(2-methylcyclohepta-1,3,5-trien-1-yl)oxyocta-4,6-dien-1-amine
CID 143896624
(3E,5E)-3-ethenyl-6,7-dimethoxy-N,2-dimethylhepta-3,5-dien-1-amine
CID 143506623

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-5-[(4-propylcyclohexa-2,4-dien-1-yl)methoxy]cyclohepta-1,3,5-trien-1-yl]-N-methylethanamine?
The IUPAC name of 2-[4-methoxy-5-[(4-propylcyclohexa-2,4-dien-1-yl)methoxy]cyclohepta-1,3,5-trien-1-yl]-N-methylethanamine (CID 138546137) is 2-[4-methoxy-5-[(4-propylcyclohexa-2,4-dien-1-yl)methoxy]cyclohepta-1,3,5-trien-1-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4-methoxy-5-[(4-propylcyclohexa-2,4-dien-1-yl)methoxy]cyclohepta-1,3,5-trien-1-yl]-N-methylethanamine?
The canonical SMILES for 2-[4-methoxy-5-[(4-propylcyclohexa-2,4-dien-1-yl)methoxy]cyclohepta-1,3,5-trien-1-yl]-N-methylethanamine is CCCC1=CCC(COC2=CCC(CCNC)=CC=C2OC)C=C1.
What is the InChIKey of 2-[4-methoxy-5-[(4-propylcyclohexa-2,4-dien-1-yl)methoxy]cyclohepta-1,3,5-trien-1-yl]-N-methylethanamine?
The InChIKey is FSKIQDGNJRYYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO2/c1-4-5-17-6-8-19(9-7-17)16-24-21-13-11-18(14-15-22-2)10-12-20(21)23-3/h6-8,10,12-13,19,22H,4-5,9,11,14-16H2,1-3H3.
What are the key properties of 2-[4-methoxy-5-[(4-propylcyclohexa-2,4-dien-1-yl)methoxy]cyclohepta-1,3,5-trien-1-yl]-N-methylethanamine?
2-[4-methoxy-5-[(4-propylcyclohexa-2,4-dien-1-yl)methoxy]cyclohepta-1,3,5-trien-1-yl]-N-methylethanamine has a molecular weight of 329.48 g/mol, XLogP of 4.66, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-5-[(4-propylcyclohexa-2,4-dien-1-yl)methoxy]cyclohepta-1,3,5-trien-1-yl]-N-methylethanamine is sourced from PubChem (CID 138546137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).