N-benzyl-N-methyl-1-phenylmethanamine;2-(3-methylphenyl)benzaldehyde

C29H29NO — CID 142814461

IUPACN-benzyl-N-methyl-1-phenylmethanamine;2-(3-methylphenyl)benzaldehyde
SMILESCN(Cc1ccccc1)Cc1ccccc1.Cc1cccc(-c2ccccc2C=O)c1
InChIInChI=1S/C15H17N.C14H12O/c1-16(12-14-8-4-2-5-9-14)13-15-10-6-3-7-11-15;1-11-5-4-7-12(9-11)14-8-3-2-6-13(14)10-15/h2-11H,12-13H2,1H3;2-10H,1H3
InChIKeyNFSNTGYACUCGNQ-UHFFFAOYSA-N
MW407.56 g/mol
LogP6.79
Rot. Bonds6

About N-benzyl-N-methyl-1-phenylmethanamine;2-(3-methylphenyl)benzaldehyde

N-benzyl-N-methyl-1-phenylmethanamine;2-(3-methylphenyl)benzaldehyde (PubChem CID 142814461) has the molecular formula C29H29NO and a molecular weight of 407.56 g/mol. Its IUPAC name is N-benzyl-N-methyl-1-phenylmethanamine;2-(3-methylphenyl)benzaldehyde.

Molecular Properties

Compound NameN-benzyl-N-methyl-1-phenylmethanamine;2-(3-methylphenyl)benzaldehyde
PubChem CID142814461
Molecular FormulaC29H29NO
Molecular Weight407.56 g/mol
Exact Mass407.22
IUPAC NameN-benzyl-N-methyl-1-phenylmethanamine;2-(3-methylphenyl)benzaldehyde
SMILESCN(Cc1ccccc1)Cc1ccccc1.Cc1cccc(-c2ccccc2C=O)c1
InChIInChI=1S/C15H17N.C14H12O/c1-16(12-14-8-4-2-5-9-14)13-15-10-6-3-7-11-15;1-11-5-4-7-12(9-11)14-8-3-2-6-13(14)10-15/h2-11H,12-13H2,1H3;2-10H,1H3
InChIKeyNFSNTGYACUCGNQ-UHFFFAOYSA-N
XLogP6.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.56
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-1-phenylmethanamine;2-(3-methylphenyl)benzaldehyde?
The IUPAC name of N-benzyl-N-methyl-1-phenylmethanamine;2-(3-methylphenyl)benzaldehyde (CID 142814461) is N-benzyl-N-methyl-1-phenylmethanamine;2-(3-methylphenyl)benzaldehyde.
What is the SMILES notation for N-benzyl-N-methyl-1-phenylmethanamine;2-(3-methylphenyl)benzaldehyde?
The canonical SMILES for N-benzyl-N-methyl-1-phenylmethanamine;2-(3-methylphenyl)benzaldehyde is CN(Cc1ccccc1)Cc1ccccc1.Cc1cccc(-c2ccccc2C=O)c1.
What is the InChIKey of N-benzyl-N-methyl-1-phenylmethanamine;2-(3-methylphenyl)benzaldehyde?
The InChIKey is NFSNTGYACUCGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N.C14H12O/c1-16(12-14-8-4-2-5-9-14)13-15-10-6-3-7-11-15;1-11-5-4-7-12(9-11)14-8-3-2-6-13(14)10-15/h2-11H,12-13H2,1H3;2-10H,1H3.
What are the key properties of N-benzyl-N-methyl-1-phenylmethanamine;2-(3-methylphenyl)benzaldehyde?
N-benzyl-N-methyl-1-phenylmethanamine;2-(3-methylphenyl)benzaldehyde has a molecular weight of 407.56 g/mol, XLogP of 6.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-1-phenylmethanamine;2-(3-methylphenyl)benzaldehyde is sourced from PubChem (CID 142814461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).