N-benzyl-N-[(3-methylphenyl)methoxy]-1-phenylmethanamine

C22H23NO — CID 134927457

IUPACN-benzyl-N-[(3-methylphenyl)methoxy]-1-phenylmethanamine
SMILESCc1cccc(CON(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C22H23NO/c1-19-9-8-14-22(15-19)18-24-23(16-20-10-4-2-5-11-20)17-21-12-6-3-7-13-21/h2-15H,16-18H2,1H3
InChIKeyNRFAKOBCYUPWBM-UHFFFAOYSA-N
MW317.43 g/mol
LogP5.13
Rot. Bonds7

About N-benzyl-N-[(3-methylphenyl)methoxy]-1-phenylmethanamine

N-benzyl-N-[(3-methylphenyl)methoxy]-1-phenylmethanamine (PubChem CID 134927457) has the molecular formula C22H23NO and a molecular weight of 317.43 g/mol. Its IUPAC name is N-benzyl-N-[(3-methylphenyl)methoxy]-1-phenylmethanamine.

Molecular Properties

Compound NameN-benzyl-N-[(3-methylphenyl)methoxy]-1-phenylmethanamine
PubChem CID134927457
Molecular FormulaC22H23NO
Molecular Weight317.43 g/mol
Exact Mass317.18
IUPAC NameN-benzyl-N-[(3-methylphenyl)methoxy]-1-phenylmethanamine
SMILESCc1cccc(CON(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C22H23NO/c1-19-9-8-14-22(15-19)18-24-23(16-20-10-4-2-5-11-20)17-21-12-6-3-7-13-21/h2-15H,16-18H2,1H3
InChIKeyNRFAKOBCYUPWBM-UHFFFAOYSA-N
XLogP5.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.43
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-[(3-methylphenyl)methoxymethyl]benzene
CID 15640186
N'-benzyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 39357118
1-methyl-3-(propan-2-yloxymethyl)benzene
CID 10464662
benzyl N-methyl-N-[(3-methylphenyl)methyl]carbamate
CID 130156986
N-benzyl-N-[[3-[[[3-[[bis[[3,5-bis[(dibenzylamino)methyl]phenyl]methyl]amino]methyl]-5-methylphenyl]methyl-[[3,5-bis[(dibenzylamino)methyl]phenyl]methyl]amino]methyl]-5-[(dibenzylamino)methyl]phenyl]methyl]-1-phenylmethanamine
CID 89334206
trans-(1R,2R)-1-N,1-N,2-N-tribenzyl-2-N-[(3-methylphenyl)methyl]cyclohexane-1,2-diamine
CID 102466161
N-benzyl-N-cyclohexyl-3-methylaniline
CID 21396776
potassium trifluoro-[2-[(3-methylphenyl)methoxy]phenyl]boranuide
CID 63676819
N-benzyl-N-(iodomethyl)-3-methylaniline
CID 88987786
1-(2,2-dimethylpropoxymethyl)-3-methylbenzene
CID 91703784
N-methyl-1-[(3-methylphenyl)methoxy]methanamine
CID 142182109
4-[[4-[benzyl(ethyl)amino]phenyl]-[4-[ethyl-[(3-methylphenyl)methyl]amino]phenyl]methyl]-N,N-diethylaniline
CID 58133446

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(3-methylphenyl)methoxy]-1-phenylmethanamine?
The IUPAC name of N-benzyl-N-[(3-methylphenyl)methoxy]-1-phenylmethanamine (CID 134927457) is N-benzyl-N-[(3-methylphenyl)methoxy]-1-phenylmethanamine.
What is the SMILES notation for N-benzyl-N-[(3-methylphenyl)methoxy]-1-phenylmethanamine?
The canonical SMILES for N-benzyl-N-[(3-methylphenyl)methoxy]-1-phenylmethanamine is Cc1cccc(CON(Cc2ccccc2)Cc2ccccc2)c1.
What is the InChIKey of N-benzyl-N-[(3-methylphenyl)methoxy]-1-phenylmethanamine?
The InChIKey is NRFAKOBCYUPWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO/c1-19-9-8-14-22(15-19)18-24-23(16-20-10-4-2-5-11-20)17-21-12-6-3-7-13-21/h2-15H,16-18H2,1H3.
What are the key properties of N-benzyl-N-[(3-methylphenyl)methoxy]-1-phenylmethanamine?
N-benzyl-N-[(3-methylphenyl)methoxy]-1-phenylmethanamine has a molecular weight of 317.43 g/mol, XLogP of 5.13, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(3-methylphenyl)methoxy]-1-phenylmethanamine is sourced from PubChem (CID 134927457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).