3,3-bis(2-methoxyphenyl)propyl-methyl-di(propan-2-yl)azanium

C24H36NO2+ — CID 10163796

IUPAC3,3-bis(2-methoxyphenyl)propyl-methyl-di(propan-2-yl)azanium
SMILESCOc1ccccc1C(CC[N+](C)(C(C)C)C(C)C)c1ccccc1OC
InChIInChI=1S/C24H36NO2/c1-18(2)25(5,19(3)4)17-16-20(21-12-8-10-14-23(21)26-6)22-13-9-11-15-24(22)27-7/h8-15,18-20H,16-17H2,1-7H3/q+1
InChIKeyAIWHVYSXHUYYRQ-UHFFFAOYSA-N
MW370.56 g/mol
LogP5.49
Rot. Bonds9

About 3,3-bis(2-methoxyphenyl)propyl-methyl-di(propan-2-yl)azanium

3,3-bis(2-methoxyphenyl)propyl-methyl-di(propan-2-yl)azanium (PubChem CID 10163796) has the molecular formula C24H36NO2+ and a molecular weight of 370.56 g/mol. Its IUPAC name is 3,3-bis(2-methoxyphenyl)propyl-methyl-di(propan-2-yl)azanium.

Molecular Properties

Compound Name3,3-bis(2-methoxyphenyl)propyl-methyl-di(propan-2-yl)azanium
PubChem CID10163796
Molecular FormulaC24H36NO2+
Molecular Weight370.56 g/mol
Exact Mass370.27
IUPAC Name3,3-bis(2-methoxyphenyl)propyl-methyl-di(propan-2-yl)azanium
SMILESCOc1ccccc1C(CC[N+](C)(C(C)C)C(C)C)c1ccccc1OC
InChIInChI=1S/C24H36NO2/c1-18(2)25(5,19(3)4)17-16-20(21-12-8-10-14-23(21)26-6)22-13-9-11-15-24(22)27-7/h8-15,18-20H,16-17H2,1-7H3/q+1
InChIKeyAIWHVYSXHUYYRQ-UHFFFAOYSA-N
XLogP5.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.56
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

3,3-bis(2-methoxyphenyl)propylphosphane
CID 57073175
ethane;1-methoxy-2-propan-2-ylbenzene
CID 144548142
ethane;1-methoxy-2-propan-2-ylbenzene
CID 142030907
1-(3-chlorobutan-2-yl)-2-methoxybenzene
CID 66470656
1-bromo-4-[1-(2-methoxyphenyl)butyl]benzene
CID 58302960
1-(1-bromo-2-phenylethyl)-2-methoxybenzene
CID 63017425
[(1S)-1-(2-methoxyphenyl)ethyl]phosphane
CID 130462203
(1S)-1-(2-methoxyphenyl)ethanethiol
CID 28974918
1-[chloro(phenyl)methyl]-2-ethyl-3-methoxybenzene
CID 150862192
3-(2-methoxyphenyl)-3-phenoxypropan-1-amine
CID 112501709
(1R)-1-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 11346678
1-chloro-1-(2-methoxyphenyl)propan-2-ol
CID 69345469

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(2-methoxyphenyl)propyl-methyl-di(propan-2-yl)azanium?
The IUPAC name of 3,3-bis(2-methoxyphenyl)propyl-methyl-di(propan-2-yl)azanium (CID 10163796) is 3,3-bis(2-methoxyphenyl)propyl-methyl-di(propan-2-yl)azanium.
What is the SMILES notation for 3,3-bis(2-methoxyphenyl)propyl-methyl-di(propan-2-yl)azanium?
The canonical SMILES for 3,3-bis(2-methoxyphenyl)propyl-methyl-di(propan-2-yl)azanium is COc1ccccc1C(CC[N+](C)(C(C)C)C(C)C)c1ccccc1OC.
What is the InChIKey of 3,3-bis(2-methoxyphenyl)propyl-methyl-di(propan-2-yl)azanium?
The InChIKey is AIWHVYSXHUYYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36NO2/c1-18(2)25(5,19(3)4)17-16-20(21-12-8-10-14-23(21)26-6)22-13-9-11-15-24(22)27-7/h8-15,18-20H,16-17H2,1-7H3/q+1.
What are the key properties of 3,3-bis(2-methoxyphenyl)propyl-methyl-di(propan-2-yl)azanium?
3,3-bis(2-methoxyphenyl)propyl-methyl-di(propan-2-yl)azanium has a molecular weight of 370.56 g/mol, XLogP of 5.49, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(2-methoxyphenyl)propyl-methyl-di(propan-2-yl)azanium is sourced from PubChem (CID 10163796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).