benzyl-[(2,5-dimethoxyphenyl)methyl]azanium

C16H20NO2+ — CID 6963477

IUPACbenzyl-[(2,5-dimethoxyphenyl)methyl]azanium
SMILESCOc1ccc(OC)c(C[NH2+]Cc2ccccc2)c1
InChIInChI=1S/C16H19NO2/c1-18-15-8-9-16(19-2)14(10-15)12-17-11-13-6-4-3-5-7-13/h3-10,17H,11-12H2,1-2H3/p+1
InChIKeyANAWJFQLYUXDAP-UHFFFAOYSA-O
MW258.34 g/mol
LogP1.97
Rot. Bonds6

About benzyl-[(2,5-dimethoxyphenyl)methyl]azanium

benzyl-[(2,5-dimethoxyphenyl)methyl]azanium (PubChem CID 6963477) has the molecular formula C16H20NO2+ and a molecular weight of 258.34 g/mol. Its IUPAC name is benzyl-[(2,5-dimethoxyphenyl)methyl]azanium.

Molecular Properties

Compound Namebenzyl-[(2,5-dimethoxyphenyl)methyl]azanium
PubChem CID6963477
Molecular FormulaC16H20NO2+
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Namebenzyl-[(2,5-dimethoxyphenyl)methyl]azanium
SMILESCOc1ccc(OC)c(C[NH2+]Cc2ccccc2)c1
InChIInChI=1S/C16H19NO2/c1-18-15-8-9-16(19-2)14(10-15)12-17-11-13-6-4-3-5-7-13/h3-10,17H,11-12H2,1-2H3/p+1
InChIKeyANAWJFQLYUXDAP-UHFFFAOYSA-O
XLogP1.97
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromophenyl)methyl-[(2,4-dimethoxyphenyl)methyl]azanium
CID 3648787
benzyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]azanium
CID 7447354
(2,4-dimethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 5045085
(4-methoxyphenyl)methyl-[(4-phenylphenyl)methyl]azanium
CID 8636190
(2-bromophenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 3504596
(3-ethoxy-4-phenylmethoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 8635968
N-[(2,5-dimethoxyphenyl)methyl]-1-phenylmethanesulfonamide
CID 31827805
(2,4-dimethoxyphenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium
CID 2163838
N-benzyl-N-[(2,5-dimethoxyphenyl)methyl]butan-1-amine
CID 2244864
(3-ethoxy-4-methoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 8636164
1-[(2,5-dimethoxyphenyl)methyl]-2-phenylhydrazine
CID 169384341
[3-[(2,5-dimethoxyphenyl)methyl]phenyl]methanamine
CID 116926180

Frequently Asked Questions

What is the IUPAC name of benzyl-[(2,5-dimethoxyphenyl)methyl]azanium?
The IUPAC name of benzyl-[(2,5-dimethoxyphenyl)methyl]azanium (CID 6963477) is benzyl-[(2,5-dimethoxyphenyl)methyl]azanium.
What is the SMILES notation for benzyl-[(2,5-dimethoxyphenyl)methyl]azanium?
The canonical SMILES for benzyl-[(2,5-dimethoxyphenyl)methyl]azanium is COc1ccc(OC)c(C[NH2+]Cc2ccccc2)c1.
What is the InChIKey of benzyl-[(2,5-dimethoxyphenyl)methyl]azanium?
The InChIKey is ANAWJFQLYUXDAP-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H19NO2/c1-18-15-8-9-16(19-2)14(10-15)12-17-11-13-6-4-3-5-7-13/h3-10,17H,11-12H2,1-2H3/p+1.
What are the key properties of benzyl-[(2,5-dimethoxyphenyl)methyl]azanium?
benzyl-[(2,5-dimethoxyphenyl)methyl]azanium has a molecular weight of 258.34 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[(2,5-dimethoxyphenyl)methyl]azanium is sourced from PubChem (CID 6963477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).