1-[1-ethoxy-6-[[[4-(methylamino)cyclohexyl]amino]methyl]-4-phenylcyclohexa-2,4-dien-1-yl]ethanone;hydrochloride

C24H35ClN2O2 — CID 69186672

IUPAC1-[1-ethoxy-6-[[[4-(methylamino)cyclohexyl]amino]methyl]-4-phenylcyclohexa-2,4-dien-1-yl]ethanone;hydrochloride
SMILESCCOC1(C(C)=O)C=CC(c2ccccc2)=CC1CNC1CCC(NC)CC1.Cl
InChIInChI=1S/C24H34N2O2.ClH/c1-4-28-24(18(2)27)15-14-20(19-8-6-5-7-9-19)16-21(24)17-26-23-12-10-22(25-3)11-13-23;/h5-9,14-16,21-23,25-26H,4,10-13,17H2,1-3H3;1H
InChIKeyYRFZBKSTESHJIZ-UHFFFAOYSA-N
MW419.01 g/mol
LogP4.16
Rot. Bonds8

About 1-[1-ethoxy-6-[[[4-(methylamino)cyclohexyl]amino]methyl]-4-phenylcyclohexa-2,4-dien-1-yl]ethanone;hydrochloride

1-[1-ethoxy-6-[[[4-(methylamino)cyclohexyl]amino]methyl]-4-phenylcyclohexa-2,4-dien-1-yl]ethanone;hydrochloride (PubChem CID 69186672) has the molecular formula C24H35ClN2O2 and a molecular weight of 419.01 g/mol. Its IUPAC name is 1-[1-ethoxy-6-[[[4-(methylamino)cyclohexyl]amino]methyl]-4-phenylcyclohexa-2,4-dien-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[1-ethoxy-6-[[[4-(methylamino)cyclohexyl]amino]methyl]-4-phenylcyclohexa-2,4-dien-1-yl]ethanone;hydrochloride
PubChem CID69186672
Molecular FormulaC24H35ClN2O2
Molecular Weight419.01 g/mol
Exact Mass418.24
IUPAC Name1-[1-ethoxy-6-[[[4-(methylamino)cyclohexyl]amino]methyl]-4-phenylcyclohexa-2,4-dien-1-yl]ethanone;hydrochloride
SMILESCCOC1(C(C)=O)C=CC(c2ccccc2)=CC1CNC1CCC(NC)CC1.Cl
InChIInChI=1S/C24H34N2O2.ClH/c1-4-28-24(18(2)27)15-14-20(19-8-6-5-7-9-19)16-21(24)17-26-23-12-10-22(25-3)11-13-23;/h5-9,14-16,21-23,25-26H,4,10-13,17H2,1-3H3;1H
InChIKeyYRFZBKSTESHJIZ-UHFFFAOYSA-N
XLogP4.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.01
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-ethoxy-6-[[[4-(methylamino)cyclohexyl]amino]methyl]-4-phenylcyclohexa-2,4-dien-1-yl]ethanone;hydrochloride?
The IUPAC name of 1-[1-ethoxy-6-[[[4-(methylamino)cyclohexyl]amino]methyl]-4-phenylcyclohexa-2,4-dien-1-yl]ethanone;hydrochloride (CID 69186672) is 1-[1-ethoxy-6-[[[4-(methylamino)cyclohexyl]amino]methyl]-4-phenylcyclohexa-2,4-dien-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 1-[1-ethoxy-6-[[[4-(methylamino)cyclohexyl]amino]methyl]-4-phenylcyclohexa-2,4-dien-1-yl]ethanone;hydrochloride?
The canonical SMILES for 1-[1-ethoxy-6-[[[4-(methylamino)cyclohexyl]amino]methyl]-4-phenylcyclohexa-2,4-dien-1-yl]ethanone;hydrochloride is CCOC1(C(C)=O)C=CC(c2ccccc2)=CC1CNC1CCC(NC)CC1.Cl.
What is the InChIKey of 1-[1-ethoxy-6-[[[4-(methylamino)cyclohexyl]amino]methyl]-4-phenylcyclohexa-2,4-dien-1-yl]ethanone;hydrochloride?
The InChIKey is YRFZBKSTESHJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O2.ClH/c1-4-28-24(18(2)27)15-14-20(19-8-6-5-7-9-19)16-21(24)17-26-23-12-10-22(25-3)11-13-23;/h5-9,14-16,21-23,25-26H,4,10-13,17H2,1-3H3;1H.
What are the key properties of 1-[1-ethoxy-6-[[[4-(methylamino)cyclohexyl]amino]methyl]-4-phenylcyclohexa-2,4-dien-1-yl]ethanone;hydrochloride?
1-[1-ethoxy-6-[[[4-(methylamino)cyclohexyl]amino]methyl]-4-phenylcyclohexa-2,4-dien-1-yl]ethanone;hydrochloride has a molecular weight of 419.01 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-ethoxy-6-[[[4-(methylamino)cyclohexyl]amino]methyl]-4-phenylcyclohexa-2,4-dien-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 69186672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).