N-benzhydryl-4,5-dimethoxy-2-methylaniline

C22H23NO2 — CID 2490040

IUPACN-benzhydryl-4,5-dimethoxy-2-methylaniline
SMILESCOc1cc(C)c(NC(c2ccccc2)c2ccccc2)cc1OC
InChIInChI=1S/C22H23NO2/c1-16-14-20(24-2)21(25-3)15-19(16)23-22(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-15,22-23H,1-3H3
InChIKeySXZNXJOSCLEHKP-UHFFFAOYSA-N
MW333.43 g/mol
LogP5.21
Rot. Bonds6

About N-benzhydryl-4,5-dimethoxy-2-methylaniline

N-benzhydryl-4,5-dimethoxy-2-methylaniline (PubChem CID 2490040) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-benzhydryl-4,5-dimethoxy-2-methylaniline.

Molecular Properties

Compound NameN-benzhydryl-4,5-dimethoxy-2-methylaniline
PubChem CID2490040
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC NameN-benzhydryl-4,5-dimethoxy-2-methylaniline
SMILESCOc1cc(C)c(NC(c2ccccc2)c2ccccc2)cc1OC
InChIInChI=1S/C22H23NO2/c1-16-14-20(24-2)21(25-3)15-19(16)23-22(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-15,22-23H,1-3H3
InChIKeySXZNXJOSCLEHKP-UHFFFAOYSA-N
XLogP5.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.43
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3,4-Dimethoxy-N-(4-methoxyphenyl)benzylamine
CID 784220
4-Methoxy-N-(3,4,5-trimethoxybenzyl)aniline
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US9205085, Msx-205
CID 23656764
4-Ethyl-N-(3,4,5-trimethoxybenzyl)aniline
CID 373800
N-(4-Methoxybenzyl)-3,5-trimethoxyaniline
CID 364712
4-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]aniline hydrochloride
CID 372855
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CID 11617492
2-(6,7-dimethoxy-2-oxo-3-((phenylamino)methyl)quinolin-1(2H)-yl)-N-(4-ethylphenyl)acetamide
CID 16023223
5-(3,4-dimethoxy-N-methyl-anilino)-2-(3,4-dimethoxyphenyl)-2-isopropyl-pentanenitrile
CID 20187118
N-(1-(2,3-dimethoxyphenyl)but-3-en-1-yl)aniline
CID 2772097
N-benzhydryl-3,4,5-trimethoxyaniline
CID 2531134
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CID 723252

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-4,5-dimethoxy-2-methylaniline?
The IUPAC name of N-benzhydryl-4,5-dimethoxy-2-methylaniline (CID 2490040) is N-benzhydryl-4,5-dimethoxy-2-methylaniline.
What is the SMILES notation for N-benzhydryl-4,5-dimethoxy-2-methylaniline?
The canonical SMILES for N-benzhydryl-4,5-dimethoxy-2-methylaniline is COc1cc(C)c(NC(c2ccccc2)c2ccccc2)cc1OC.
What is the InChIKey of N-benzhydryl-4,5-dimethoxy-2-methylaniline?
The InChIKey is SXZNXJOSCLEHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-16-14-20(24-2)21(25-3)15-19(16)23-22(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-15,22-23H,1-3H3.
What are the key properties of N-benzhydryl-4,5-dimethoxy-2-methylaniline?
N-benzhydryl-4,5-dimethoxy-2-methylaniline has a molecular weight of 333.43 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-4,5-dimethoxy-2-methylaniline is sourced from PubChem (CID 2490040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).