N-[(benzhydrylideneamino)methyl]-3-methoxy-4-methylaniline

C22H22N2O — CID 59915661

IUPACN-[(benzhydrylideneamino)methyl]-3-methoxy-4-methylaniline
SMILESCOc1cc(NCN=C(c2ccccc2)c2ccccc2)ccc1C
InChIInChI=1S/C22H22N2O/c1-17-13-14-20(15-21(17)25-2)23-16-24-22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,23H,16H2,1-2H3
InChIKeyHJTSICKQQSTOBU-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.91
Rot. Bonds6

About N-[(benzhydrylideneamino)methyl]-3-methoxy-4-methylaniline

N-[(benzhydrylideneamino)methyl]-3-methoxy-4-methylaniline (PubChem CID 59915661) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[(benzhydrylideneamino)methyl]-3-methoxy-4-methylaniline.

Molecular Properties

Compound NameN-[(benzhydrylideneamino)methyl]-3-methoxy-4-methylaniline
PubChem CID59915661
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC NameN-[(benzhydrylideneamino)methyl]-3-methoxy-4-methylaniline
SMILESCOc1cc(NCN=C(c2ccccc2)c2ccccc2)ccc1C
InChIInChI=1S/C22H22N2O/c1-17-13-14-20(15-21(17)25-2)23-16-24-22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,23H,16H2,1-2H3
InChIKeyHJTSICKQQSTOBU-UHFFFAOYSA-N
XLogP4.91
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-(3-methoxy-4-methylanilino)-2,2-dimethylpropan-1-ol
CID 58748362
N-(3-benzoylphenyl)-3-methoxy-4-methylbenzamide
CID 52843930
2-[2-(3-methoxy-4-methylphenyl)ethyl]-1-phenylguanidine
CID 111459304
N-(3-methoxy-4-methylphenyl)-2-methylprop-2-enamide
CID 134123045
3-methoxy-4-methyl-N-phenylaniline;4-methylbenzenesulfonic acid
CID 91301925
3-methoxy-4-methyl-N-phenylaniline;oxido sulfite
CID 91481114
ethane;2-(4-methoxy-3-methylanilino)ethanol
CID 142353980
N-(2,2-dimethylpropyl)-N-(3-methoxy-4-methylphenyl)benzamide
CID 70921685
3,4-dimethoxy-N-(2-phenylsulfanylethyl)aniline
CID 79213147
N'-(3-chloro-4-methoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806573
1-(3,4-dimethoxyphenyl)-3-[(Z)-1-phenylpropylideneamino]thiourea
CID 9216358
1-methoxy-N-(3-methoxy-4-methylphenyl)naphthalene-2-carboxamide
CID 38112960

Frequently Asked Questions

What is the IUPAC name of N-[(benzhydrylideneamino)methyl]-3-methoxy-4-methylaniline?
The IUPAC name of N-[(benzhydrylideneamino)methyl]-3-methoxy-4-methylaniline (CID 59915661) is N-[(benzhydrylideneamino)methyl]-3-methoxy-4-methylaniline.
What is the SMILES notation for N-[(benzhydrylideneamino)methyl]-3-methoxy-4-methylaniline?
The canonical SMILES for N-[(benzhydrylideneamino)methyl]-3-methoxy-4-methylaniline is COc1cc(NCN=C(c2ccccc2)c2ccccc2)ccc1C.
What is the InChIKey of N-[(benzhydrylideneamino)methyl]-3-methoxy-4-methylaniline?
The InChIKey is HJTSICKQQSTOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c1-17-13-14-20(15-21(17)25-2)23-16-24-22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,23H,16H2,1-2H3.
What are the key properties of N-[(benzhydrylideneamino)methyl]-3-methoxy-4-methylaniline?
N-[(benzhydrylideneamino)methyl]-3-methoxy-4-methylaniline has a molecular weight of 330.43 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(benzhydrylideneamino)methyl]-3-methoxy-4-methylaniline is sourced from PubChem (CID 59915661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).