benzhydryl-[(2,3-dimethoxyphenyl)methyl]-methylazanium

C23H26NO2+ — CID 7998801

IUPACbenzhydryl-[(2,3-dimethoxyphenyl)methyl]-methylazanium
SMILESCOc1cccc(C[NH+](C)C(c2ccccc2)c2ccccc2)c1OC
InChIInChI=1S/C23H25NO2/c1-24(17-20-15-10-16-21(25-2)23(20)26-3)22(18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-16,22H,17H2,1-3H3/p+1
InChIKeyPBKFAELENIOZSQ-UHFFFAOYSA-O
MW348.47 g/mol
LogP3.51
Rot. Bonds7

About benzhydryl-[(2,3-dimethoxyphenyl)methyl]-methylazanium

benzhydryl-[(2,3-dimethoxyphenyl)methyl]-methylazanium (PubChem CID 7998801) has the molecular formula C23H26NO2+ and a molecular weight of 348.47 g/mol. Its IUPAC name is benzhydryl-[(2,3-dimethoxyphenyl)methyl]-methylazanium.

Molecular Properties

Compound Namebenzhydryl-[(2,3-dimethoxyphenyl)methyl]-methylazanium
PubChem CID7998801
Molecular FormulaC23H26NO2+
Molecular Weight348.47 g/mol
Exact Mass348.20
IUPAC Namebenzhydryl-[(2,3-dimethoxyphenyl)methyl]-methylazanium
SMILESCOc1cccc(C[NH+](C)C(c2ccccc2)c2ccccc2)c1OC
InChIInChI=1S/C23H25NO2/c1-24(17-20-15-10-16-21(25-2)23(20)26-3)22(18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-16,22H,17H2,1-3H3/p+1
InChIKeyPBKFAELENIOZSQ-UHFFFAOYSA-O
XLogP3.51
TPSA22.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-1,1-diphenylmethanamine
CID 30611700
N-[(2,3-dimethoxyphenyl)methyl]-1-phenylbutan-1-amine
CID 17156042
2-[(2,3-dimethoxyphenyl)methyl-propan-2-ylamino]-1-phenylethanol
CID 42837199
N-[(2,3-dimethoxyphenyl)methyl]-1-phenylmethanamine
CID 769797
[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium
CID 2689916
(2S)-3-(2,3-dimethoxyphenyl)-2-methylpropanoic acid
CID 95001496
(2,3-dimethoxyphenyl)methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
CID 2699286
1-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-2,2-diphenylethanone;oxalic acid
CID 17366351
1-benzhydryl-4-[(2,3-dimethoxyphenyl)methyl]piperazine;oxalic acid
CID 163328266
1,2-dimethoxy-3-prop-2-ynylbenzene
CID 119082494
N-[(2,3-dimethoxyphenyl)methyl]hydroxylamine
CID 11572077
O-[2-(2,3-dimethoxyphenyl)ethyl]hydroxylamine
CID 83484924

Frequently Asked Questions

What is the IUPAC name of benzhydryl-[(2,3-dimethoxyphenyl)methyl]-methylazanium?
The IUPAC name of benzhydryl-[(2,3-dimethoxyphenyl)methyl]-methylazanium (CID 7998801) is benzhydryl-[(2,3-dimethoxyphenyl)methyl]-methylazanium.
What is the SMILES notation for benzhydryl-[(2,3-dimethoxyphenyl)methyl]-methylazanium?
The canonical SMILES for benzhydryl-[(2,3-dimethoxyphenyl)methyl]-methylazanium is COc1cccc(C[NH+](C)C(c2ccccc2)c2ccccc2)c1OC.
What is the InChIKey of benzhydryl-[(2,3-dimethoxyphenyl)methyl]-methylazanium?
The InChIKey is PBKFAELENIOZSQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H25NO2/c1-24(17-20-15-10-16-21(25-2)23(20)26-3)22(18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-16,22H,17H2,1-3H3/p+1.
What are the key properties of benzhydryl-[(2,3-dimethoxyphenyl)methyl]-methylazanium?
benzhydryl-[(2,3-dimethoxyphenyl)methyl]-methylazanium has a molecular weight of 348.47 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl-[(2,3-dimethoxyphenyl)methyl]-methylazanium is sourced from PubChem (CID 7998801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).