2-methyl-4-phenylmethoxyaniline

C14H15NO — CID 16773053

IUPAC2-methyl-4-phenylmethoxyaniline
SMILESCc1cc(OCc2ccccc2)ccc1N
InChIInChI=1S/C14H15NO/c1-11-9-13(7-8-14(11)15)16-10-12-5-3-2-4-6-12/h2-9H,10,15H2,1H3
InChIKeyYMZVPMQBIGSBOW-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.16
Rot. Bonds3

About 2-methyl-4-phenylmethoxyaniline

2-methyl-4-phenylmethoxyaniline (PubChem CID 16773053) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-methyl-4-phenylmethoxyaniline.

Molecular Properties

Compound Name2-methyl-4-phenylmethoxyaniline
PubChem CID16773053
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name2-methyl-4-phenylmethoxyaniline
SMILESCc1cc(OCc2ccccc2)ccc1N
InChIInChI=1S/C14H15NO/c1-11-9-13(7-8-14(11)15)16-10-12-5-3-2-4-6-12/h2-9H,10,15H2,1H3
InChIKeyYMZVPMQBIGSBOW-UHFFFAOYSA-N
XLogP3.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenylmethoxyaniline?
The IUPAC name of 2-methyl-4-phenylmethoxyaniline (CID 16773053) is 2-methyl-4-phenylmethoxyaniline.
What is the SMILES notation for 2-methyl-4-phenylmethoxyaniline?
The canonical SMILES for 2-methyl-4-phenylmethoxyaniline is Cc1cc(OCc2ccccc2)ccc1N.
What is the InChIKey of 2-methyl-4-phenylmethoxyaniline?
The InChIKey is YMZVPMQBIGSBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-11-9-13(7-8-14(11)15)16-10-12-5-3-2-4-6-12/h2-9H,10,15H2,1H3.
What are the key properties of 2-methyl-4-phenylmethoxyaniline?
2-methyl-4-phenylmethoxyaniline has a molecular weight of 213.28 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenylmethoxyaniline is sourced from PubChem (CID 16773053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).