N-methyl-N-[(4-phenoxyphenyl)methyl]-1-phenylmethanamine

C21H21NO — CID 54074832

IUPACN-methyl-N-[(4-phenoxyphenyl)methyl]-1-phenylmethanamine
SMILESCN(Cc1ccccc1)Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H21NO/c1-22(16-18-8-4-2-5-9-18)17-19-12-14-21(15-13-19)23-20-10-6-3-7-11-20/h2-15H,16-17H2,1H3
InChIKeyMIYKOZXVFPSGHT-UHFFFAOYSA-N
MW303.41 g/mol
LogP5.11
Rot. Bonds6

About N-methyl-N-[(4-phenoxyphenyl)methyl]-1-phenylmethanamine

N-methyl-N-[(4-phenoxyphenyl)methyl]-1-phenylmethanamine (PubChem CID 54074832) has the molecular formula C21H21NO and a molecular weight of 303.41 g/mol. Its IUPAC name is N-methyl-N-[(4-phenoxyphenyl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-methyl-N-[(4-phenoxyphenyl)methyl]-1-phenylmethanamine
PubChem CID54074832
Molecular FormulaC21H21NO
Molecular Weight303.41 g/mol
Exact Mass303.16
IUPAC NameN-methyl-N-[(4-phenoxyphenyl)methyl]-1-phenylmethanamine
SMILESCN(Cc1ccccc1)Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H21NO/c1-22(16-18-8-4-2-5-9-18)17-19-12-14-21(15-13-19)23-20-10-6-3-7-11-20/h2-15H,16-17H2,1H3
InChIKeyMIYKOZXVFPSGHT-UHFFFAOYSA-N
XLogP5.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.41
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N'-methyl-N'-[(4-phenoxyphenyl)methyl]methanediamine
CID 115225870
2-[methyl-[(4-phenoxyphenyl)methyl]amino]acetonitrile
CID 115131082
N'-benzyl-N'-methyl-N-(4-phenoxyphenyl)ethane-1,2-diamine
CID 54806685
N-benzyl-N-[(4-phenoxyphenyl)methyl]methanesulfonamide
CID 57267401
N-[(4-methoxyphenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine
CID 134791729
N-methyl-N-(naphthalen-2-ylmethyl)-1-phenylmethanamine
CID 44767910
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
ethane;1-phenoxy-4-[(4-phenoxyphenyl)methyl]benzene
CID 143793194
N-benzyl-N-methyl-1-phenylmethanamine;oxalic acid
CID 163328136
(2R)-2-hydroxy-N-methyl-N-[(4-phenoxyphenyl)methyl]propanamide
CID 70764862
N-benzyl-N-methylethanamine;N,N-dimethylethanamine;ethane
CID 159486837
N-methyl-N'-[2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]quinazolin-4-yl]propane-1,3-diamine
CID 143396543

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-phenoxyphenyl)methyl]-1-phenylmethanamine?
The IUPAC name of N-methyl-N-[(4-phenoxyphenyl)methyl]-1-phenylmethanamine (CID 54074832) is N-methyl-N-[(4-phenoxyphenyl)methyl]-1-phenylmethanamine.
What is the SMILES notation for N-methyl-N-[(4-phenoxyphenyl)methyl]-1-phenylmethanamine?
The canonical SMILES for N-methyl-N-[(4-phenoxyphenyl)methyl]-1-phenylmethanamine is CN(Cc1ccccc1)Cc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-methyl-N-[(4-phenoxyphenyl)methyl]-1-phenylmethanamine?
The InChIKey is MIYKOZXVFPSGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO/c1-22(16-18-8-4-2-5-9-18)17-19-12-14-21(15-13-19)23-20-10-6-3-7-11-20/h2-15H,16-17H2,1H3.
What are the key properties of N-methyl-N-[(4-phenoxyphenyl)methyl]-1-phenylmethanamine?
N-methyl-N-[(4-phenoxyphenyl)methyl]-1-phenylmethanamine has a molecular weight of 303.41 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-phenoxyphenyl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 54074832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).