4-(phenylmethoxymethyl)aniline

C14H15NO — CID 11701294

IUPAC4-(phenylmethoxymethyl)aniline
SMILESNc1ccc(COCc2ccccc2)cc1
InChIInChI=1S/C14H15NO/c15-14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12/h1-9H,10-11,15H2
InChIKeyFRISHJFEBJVKFQ-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.99
Rot. Bonds4

About 4-(phenylmethoxymethyl)aniline

4-(phenylmethoxymethyl)aniline (PubChem CID 11701294) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-(phenylmethoxymethyl)aniline.

Molecular Properties

Compound Name4-(phenylmethoxymethyl)aniline
PubChem CID11701294
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name4-(phenylmethoxymethyl)aniline
SMILESNc1ccc(COCc2ccccc2)cc1
InChIInChI=1S/C14H15NO/c15-14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12/h1-9H,10-11,15H2
InChIKeyFRISHJFEBJVKFQ-UHFFFAOYSA-N
XLogP2.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.99
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-(phenylmethoxymethyl)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

CID 66734377
CID 66734377
4-(4-phenylbutoxymethyl)aniline
CID 114332885
2-[2-[(4-aminophenyl)methoxymethyl]phenyl]acetic acid
CID 115460495
ethane;phenylmethoxymethylbenzene
CID 90943549
4-phenylmethoxyaniline
CID 159966727
4-(phenoxymethyl)aniline
CID 12712561
dichloromethane;phenylmethoxymethylbenzene
CID 174530379
1-ethyl-4-(phenylmethoxymethyl)benzene
CID 123410479
4-(phenylmethoxymethylsulfinyl)aniline
CID 102940390
dimethyltin;phenylmethoxymethylbenzene
CID 87392963
N-methylmethanamine;phenylmethoxymethylbenzene
CID 70181699
2-[(4-aminophenyl)methoxy]-N-benzylacetamide
CID 28973831

Frequently Asked Questions

What is the IUPAC name of 4-(phenylmethoxymethyl)aniline?
The IUPAC name of 4-(phenylmethoxymethyl)aniline (CID 11701294) is 4-(phenylmethoxymethyl)aniline.
What is the SMILES notation for 4-(phenylmethoxymethyl)aniline?
The canonical SMILES for 4-(phenylmethoxymethyl)aniline is Nc1ccc(COCc2ccccc2)cc1.
What is the InChIKey of 4-(phenylmethoxymethyl)aniline?
The InChIKey is FRISHJFEBJVKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c15-14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12/h1-9H,10-11,15H2.
What are the key properties of 4-(phenylmethoxymethyl)aniline?
4-(phenylmethoxymethyl)aniline has a molecular weight of 213.28 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenylmethoxymethyl)aniline is sourced from PubChem (CID 11701294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).