furan-2-ylmethyl-[(1S)-2-(4-methoxyphenyl)-1-phenylethyl]azanium

C20H22NO2+ — CID 6944809

IUPACfuran-2-ylmethyl-[(1S)-2-(4-methoxyphenyl)-1-phenylethyl]azanium
SMILESCOc1ccc(C[C@H]([NH2+]Cc2ccco2)c2ccccc2)cc1
InChIInChI=1S/C20H21NO2/c1-22-18-11-9-16(10-12-18)14-20(17-6-3-2-4-7-17)21-15-19-8-5-13-23-19/h2-13,20-21H,14-15H2,1H3/p+1/t20-/m0/s1
InChIKeyCVAZQOJFGUFCAC-FQEVSTJZSA-O
MW308.40 g/mol
LogP3.34
Rot. Bonds7

About furan-2-ylmethyl-[(1S)-2-(4-methoxyphenyl)-1-phenylethyl]azanium

furan-2-ylmethyl-[(1S)-2-(4-methoxyphenyl)-1-phenylethyl]azanium (PubChem CID 6944809) has the molecular formula C20H22NO2+ and a molecular weight of 308.40 g/mol. Its IUPAC name is furan-2-ylmethyl-[(1S)-2-(4-methoxyphenyl)-1-phenylethyl]azanium.

Molecular Properties

Compound Namefuran-2-ylmethyl-[(1S)-2-(4-methoxyphenyl)-1-phenylethyl]azanium
PubChem CID6944809
Molecular FormulaC20H22NO2+
Molecular Weight308.40 g/mol
Exact Mass308.16
IUPAC Namefuran-2-ylmethyl-[(1S)-2-(4-methoxyphenyl)-1-phenylethyl]azanium
SMILESCOc1ccc(C[C@H]([NH2+]Cc2ccco2)c2ccccc2)cc1
InChIInChI=1S/C20H21NO2/c1-22-18-11-9-16(10-12-18)14-20(17-6-3-2-4-7-17)21-15-19-8-5-13-23-19/h2-13,20-21H,14-15H2,1H3/p+1/t20-/m0/s1
InChIKeyCVAZQOJFGUFCAC-FQEVSTJZSA-O
XLogP3.34
TPSA38.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-4-[(2R)-2-phenylpropyl]benzene
CID 69111235
1-methoxy-4-[2-[2-(4-methoxyphenyl)-1-phenylethoxy]-2-phenylethyl]benzene
CID 22357970
(4-methoxyphenyl)methyl-[(2R)-1-phenylpropan-2-yl]azanium
CID 7045470
N-(furan-2-ylmethyl)-N-[(3R)-3-(4-methoxyphenyl)-4-phenylbutyl]acetamide
CID 1427005
1-methoxy-4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]benzene
CID 139809698
1-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium
CID 4741925
1-(furan-2-yl)-3-(4-methoxyphenoxy)propan-2-ol
CID 117246167
N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-N-methylethanamine
CID 50969326
3-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)propanamide
CID 110296570
1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 61375521
1-deuterio-1-(4-methoxyphenyl)-2-phenylethanol
CID 135063762
N-(furan-2-ylmethyl)-N-[[4-(4-methoxyphenyl)phenyl]methyl]benzamide
CID 59260608

Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethyl-[(1S)-2-(4-methoxyphenyl)-1-phenylethyl]azanium?
The IUPAC name of furan-2-ylmethyl-[(1S)-2-(4-methoxyphenyl)-1-phenylethyl]azanium (CID 6944809) is furan-2-ylmethyl-[(1S)-2-(4-methoxyphenyl)-1-phenylethyl]azanium.
What is the SMILES notation for furan-2-ylmethyl-[(1S)-2-(4-methoxyphenyl)-1-phenylethyl]azanium?
The canonical SMILES for furan-2-ylmethyl-[(1S)-2-(4-methoxyphenyl)-1-phenylethyl]azanium is COc1ccc(C[C@H]([NH2+]Cc2ccco2)c2ccccc2)cc1.
What is the InChIKey of furan-2-ylmethyl-[(1S)-2-(4-methoxyphenyl)-1-phenylethyl]azanium?
The InChIKey is CVAZQOJFGUFCAC-FQEVSTJZSA-O. The full InChI is InChI=1S/C20H21NO2/c1-22-18-11-9-16(10-12-18)14-20(17-6-3-2-4-7-17)21-15-19-8-5-13-23-19/h2-13,20-21H,14-15H2,1H3/p+1/t20-/m0/s1.
What are the key properties of furan-2-ylmethyl-[(1S)-2-(4-methoxyphenyl)-1-phenylethyl]azanium?
furan-2-ylmethyl-[(1S)-2-(4-methoxyphenyl)-1-phenylethyl]azanium has a molecular weight of 308.40 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethyl-[(1S)-2-(4-methoxyphenyl)-1-phenylethyl]azanium is sourced from PubChem (CID 6944809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).