3,5-dimethyl-4-[(2-methyl-3-phenylphenyl)methylamino]-2-phenylmethoxybenzaldehyde

C30H29NO2 — CID 169075424

IUPAC3,5-dimethyl-4-[(2-methyl-3-phenylphenyl)methylamino]-2-phenylmethoxybenzaldehyde
SMILESCc1cc(C=O)c(OCc2ccccc2)c(C)c1NCc1cccc(-c2ccccc2)c1C
InChIInChI=1S/C30H29NO2/c1-21-17-27(19-32)30(33-20-24-11-6-4-7-12-24)23(3)29(21)31-18-26-15-10-16-28(22(26)2)25-13-8-5-9-14-25/h4-17,19,31H,18,20H2,1-3H3
InChIKeyPEKYCKLKJQTGDL-UHFFFAOYSA-N
MW435.57 g/mol
LogP7.28
Rot. Bonds8

About 3,5-dimethyl-4-[(2-methyl-3-phenylphenyl)methylamino]-2-phenylmethoxybenzaldehyde

3,5-dimethyl-4-[(2-methyl-3-phenylphenyl)methylamino]-2-phenylmethoxybenzaldehyde (PubChem CID 169075424) has the molecular formula C30H29NO2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 3,5-dimethyl-4-[(2-methyl-3-phenylphenyl)methylamino]-2-phenylmethoxybenzaldehyde.

Molecular Properties

Compound Name3,5-dimethyl-4-[(2-methyl-3-phenylphenyl)methylamino]-2-phenylmethoxybenzaldehyde
PubChem CID169075424
Molecular FormulaC30H29NO2
Molecular Weight435.57 g/mol
Exact Mass435.22
IUPAC Name3,5-dimethyl-4-[(2-methyl-3-phenylphenyl)methylamino]-2-phenylmethoxybenzaldehyde
SMILESCc1cc(C=O)c(OCc2ccccc2)c(C)c1NCc1cccc(-c2ccccc2)c1C
InChIInChI=1S/C30H29NO2/c1-21-17-27(19-32)30(33-20-24-11-6-4-7-12-24)23(3)29(21)31-18-26-15-10-16-28(22(26)2)25-13-8-5-9-14-25/h4-17,19,31H,18,20H2,1-3H3
InChIKeyPEKYCKLKJQTGDL-UHFFFAOYSA-N
XLogP7.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.57
LogP ≤ 57.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2,5-dimethyl-3-phenylmethoxybenzaldehyde
CID 142270247
1-ethyl-3-phenyl-2-phenylmethoxybenzene
CID 123935467
4-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-indene-5-carbaldehyde
CID 139498384
(2R)-2-[[5-methyl-4-[(2-methyl-3-phenylphenyl)methylamino]-2-phenylmethoxyphenyl]methylamino]but-3-ene-1,3-diol
CID 170149009
1-benzyl-3-phenyl-2-phenylmethoxybenzene
CID 58238649
3-[[5-formyl-2-[2-(2-methyl-3-phenylphenyl)acetyl]-4-pyridinyl]oxymethyl]benzonitrile
CID 161048194
4-[[3-methyl-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]butan-2-one
CID 121460110
2-bromo-4-methyl-3-phenylmethoxybenzaldehyde
CID 170399941
2-hydroxy-3-methylbenzaldehyde;3-methyl-2-phenylmethoxybenzaldehyde
CID 158370416
2,3,5,6-tetramethyl-4-phenylmethoxybenzaldehyde
CID 71408995
2-phenylmethoxy-3-pyridin-3-ylbenzaldehyde
CID 22444385
(2R)-3-hydroxy-2-[[2-[(3-isocyanophenyl)methoxy]-5-methyl-4-[(2-methyl-3-phenylphenyl)methylamino]phenyl]methylamino]propanoic acid
CID 169075422

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[(2-methyl-3-phenylphenyl)methylamino]-2-phenylmethoxybenzaldehyde?
The IUPAC name of 3,5-dimethyl-4-[(2-methyl-3-phenylphenyl)methylamino]-2-phenylmethoxybenzaldehyde (CID 169075424) is 3,5-dimethyl-4-[(2-methyl-3-phenylphenyl)methylamino]-2-phenylmethoxybenzaldehyde.
What is the SMILES notation for 3,5-dimethyl-4-[(2-methyl-3-phenylphenyl)methylamino]-2-phenylmethoxybenzaldehyde?
The canonical SMILES for 3,5-dimethyl-4-[(2-methyl-3-phenylphenyl)methylamino]-2-phenylmethoxybenzaldehyde is Cc1cc(C=O)c(OCc2ccccc2)c(C)c1NCc1cccc(-c2ccccc2)c1C.
What is the InChIKey of 3,5-dimethyl-4-[(2-methyl-3-phenylphenyl)methylamino]-2-phenylmethoxybenzaldehyde?
The InChIKey is PEKYCKLKJQTGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29NO2/c1-21-17-27(19-32)30(33-20-24-11-6-4-7-12-24)23(3)29(21)31-18-26-15-10-16-28(22(26)2)25-13-8-5-9-14-25/h4-17,19,31H,18,20H2,1-3H3.
What are the key properties of 3,5-dimethyl-4-[(2-methyl-3-phenylphenyl)methylamino]-2-phenylmethoxybenzaldehyde?
3,5-dimethyl-4-[(2-methyl-3-phenylphenyl)methylamino]-2-phenylmethoxybenzaldehyde has a molecular weight of 435.57 g/mol, XLogP of 7.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[(2-methyl-3-phenylphenyl)methylamino]-2-phenylmethoxybenzaldehyde is sourced from PubChem (CID 169075424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).