3-methyl-N-[(3-phenoxyphenyl)methyl]aniline

C20H19NO — CID 86024884

IUPAC3-methyl-N-[(3-phenoxyphenyl)methyl]aniline
SMILESCc1cccc(NCc2cccc(Oc3ccccc3)c2)c1
InChIInChI=1S/C20H19NO/c1-16-7-5-9-18(13-16)21-15-17-8-6-12-20(14-17)22-19-10-3-2-4-11-19/h2-14,21H,15H2,1H3
InChIKeyJDEFXXUZHVZHPA-UHFFFAOYSA-N
MW289.38 g/mol
LogP5.40
Rot. Bonds5

About 3-methyl-N-[(3-phenoxyphenyl)methyl]aniline

3-methyl-N-[(3-phenoxyphenyl)methyl]aniline (PubChem CID 86024884) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-methyl-N-[(3-phenoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name3-methyl-N-[(3-phenoxyphenyl)methyl]aniline
PubChem CID86024884
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC Name3-methyl-N-[(3-phenoxyphenyl)methyl]aniline
SMILESCc1cccc(NCc2cccc(Oc3ccccc3)c2)c1
InChIInChI=1S/C20H19NO/c1-16-7-5-9-18(13-16)21-15-17-8-6-12-20(14-17)22-19-10-3-2-4-11-19/h2-14,21H,15H2,1H3
InChIKeyJDEFXXUZHVZHPA-UHFFFAOYSA-N
XLogP5.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.38
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylphenyl)-2-[4-[(3-phenoxyphenyl)methylamino]phenyl]acetamide
CID 46045434
3-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]aniline
CID 10925650
3-(3-methylphenoxy)-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]aniline
CID 141062726
3-methyl-N-[(3-prop-2-ynoxyphenyl)methyl]aniline
CID 126126224
N-(3-methylphenyl)-2-(3-phenoxyphenyl)acetamide
CID 59014791
4-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]aniline
CID 54796749
ethene;N-[(3-methylphenyl)methyl]aniline;molecular hydrogen
CID 168878317
2-fluoro-4-[(3-phenoxyphenyl)methylamino]phenol
CID 69011029
N-[[3-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-3-phenoxyaniline
CID 141060077
3-(2-phenoxyethoxy)-N-[[3-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54800842
N-[[3-(3-methylphenoxy)phenyl]methyl]ethanamine
CID 63942314
4-phenoxy-N-[(3-phenylmethoxyphenyl)methyl]aniline
CID 126128104

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(3-phenoxyphenyl)methyl]aniline?
The IUPAC name of 3-methyl-N-[(3-phenoxyphenyl)methyl]aniline (CID 86024884) is 3-methyl-N-[(3-phenoxyphenyl)methyl]aniline.
What is the SMILES notation for 3-methyl-N-[(3-phenoxyphenyl)methyl]aniline?
The canonical SMILES for 3-methyl-N-[(3-phenoxyphenyl)methyl]aniline is Cc1cccc(NCc2cccc(Oc3ccccc3)c2)c1.
What is the InChIKey of 3-methyl-N-[(3-phenoxyphenyl)methyl]aniline?
The InChIKey is JDEFXXUZHVZHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO/c1-16-7-5-9-18(13-16)21-15-17-8-6-12-20(14-17)22-19-10-3-2-4-11-19/h2-14,21H,15H2,1H3.
What are the key properties of 3-methyl-N-[(3-phenoxyphenyl)methyl]aniline?
3-methyl-N-[(3-phenoxyphenyl)methyl]aniline has a molecular weight of 289.38 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3-phenoxyphenyl)methyl]aniline is sourced from PubChem (CID 86024884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).