4-[(3-methylphenoxy)methyl]aniline

C14H15NO — CID 16789694

IUPAC4-[(3-methylphenoxy)methyl]aniline
SMILESCc1cccc(OCc2ccc(N)cc2)c1
InChIInChI=1S/C14H15NO/c1-11-3-2-4-14(9-11)16-10-12-5-7-13(15)8-6-12/h2-9H,10,15H2,1H3
InChIKeyNIMVOLCTPXETDZ-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.16
Rot. Bonds3

About 4-[(3-methylphenoxy)methyl]aniline

4-[(3-methylphenoxy)methyl]aniline (PubChem CID 16789694) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-[(3-methylphenoxy)methyl]aniline.

Molecular Properties

Compound Name4-[(3-methylphenoxy)methyl]aniline
PubChem CID16789694
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name4-[(3-methylphenoxy)methyl]aniline
SMILESCc1cccc(OCc2ccc(N)cc2)c1
InChIInChI=1S/C14H15NO/c1-11-3-2-4-14(9-11)16-10-12-5-7-13(15)8-6-12/h2-9H,10,15H2,1H3
InChIKeyNIMVOLCTPXETDZ-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[(3-methylphenoxy)methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-dimethyl-5-[(3-methylphenoxy)methyl]benzene
CID 60644540
1-iodo-4-[(3-methylphenoxy)methyl]benzene
CID 65490135
4-[(3-iodophenoxy)methyl]aniline
CID 43144814
pentafluoro-[4-[(3-methylphenoxy)methyl]phenyl]-λ6-sulfane
CID 177287975
4-(phenoxymethyl)aniline
CID 12712561
3-[(3,5-dimethylphenyl)methoxy]aniline
CID 54909105
4-[(3-methylphenoxy)methyl]benzene-1,2-diol
CID 117220373
2-bromo-1-methyl-4-[(3-methylphenoxy)methyl]benzene
CID 117221819
2-methyl-5-[(3-methylphenoxy)methyl]phenol
CID 117221818
3-[4-(3-methylphenoxy)butoxy]aniline
CID 39109349
4-(3-phenylmethoxyphenoxy)aniline
CID 89036367
2-[(3-methylphenoxy)methyl]-1-benzofuran-5-amine
CID 117175925

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylphenoxy)methyl]aniline?
The IUPAC name of 4-[(3-methylphenoxy)methyl]aniline (CID 16789694) is 4-[(3-methylphenoxy)methyl]aniline.
What is the SMILES notation for 4-[(3-methylphenoxy)methyl]aniline?
The canonical SMILES for 4-[(3-methylphenoxy)methyl]aniline is Cc1cccc(OCc2ccc(N)cc2)c1.
What is the InChIKey of 4-[(3-methylphenoxy)methyl]aniline?
The InChIKey is NIMVOLCTPXETDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-11-3-2-4-14(9-11)16-10-12-5-7-13(15)8-6-12/h2-9H,10,15H2,1H3.
What are the key properties of 4-[(3-methylphenoxy)methyl]aniline?
4-[(3-methylphenoxy)methyl]aniline 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 4-[(3-methylphenoxy)methyl]aniline is sourced from PubChem (CID 16789694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).