4-phenylmethoxy-2-(phenylmethoxymethyl)aniline

C21H21NO2 — CID 58999316

IUPAC4-phenylmethoxy-2-(phenylmethoxymethyl)aniline
SMILESNc1ccc(OCc2ccccc2)cc1COCc1ccccc1
InChIInChI=1S/C21H21NO2/c22-21-12-11-20(24-15-18-9-5-2-6-10-18)13-19(21)16-23-14-17-7-3-1-4-8-17/h1-13H,14-16,22H2
InChIKeyNCJURWMIMUARGA-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.56
Rot. Bonds7

About 4-phenylmethoxy-2-(phenylmethoxymethyl)aniline

4-phenylmethoxy-2-(phenylmethoxymethyl)aniline (PubChem CID 58999316) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 4-phenylmethoxy-2-(phenylmethoxymethyl)aniline.

Molecular Properties

Compound Name4-phenylmethoxy-2-(phenylmethoxymethyl)aniline
PubChem CID58999316
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name4-phenylmethoxy-2-(phenylmethoxymethyl)aniline
SMILESNc1ccc(OCc2ccccc2)cc1COCc1ccccc1
InChIInChI=1S/C21H21NO2/c22-21-12-11-20(24-15-18-9-5-2-6-10-18)13-19(21)16-23-14-17-7-3-1-4-8-17/h1-13H,14-16,22H2
InChIKeyNCJURWMIMUARGA-UHFFFAOYSA-N
XLogP4.56
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-4-phenylmethoxyaniline
CID 156839624
2-(2-methylbutyl)-4-phenylmethoxyaniline
CID 123653214
5-phenylmethoxy-2-pyrrol-1-ylaniline
CID 10587700
4-phenylmethoxyaniline
CID 159966727
2-(methoxymethoxymethyl)-4-phenylmethoxybenzonitrile
CID 138974840
2-(cyclopenten-1-yl)-4-phenylmethoxyaniline
CID 146295903
N,2-dimethyl-4-phenylmethoxyaniline;2-methyl-4-phenylmethoxyaniline
CID 158131264
2-amino-4-phenylmethoxybenzenesulfonamide
CID 79466915
1-N-phenyl-4-phenylmethoxybenzene-1,2-diamine
CID 70695574
1-bromo-4-phenylmethoxy-2-propylbenzene
CID 58754092
1-[2,5-bis(phenylmethoxy)phenyl]propan-2-amine
CID 170864797
3-[2,5-bis(phenylmethoxy)phenyl]propan-1-ol
CID 86006432

Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxy-2-(phenylmethoxymethyl)aniline?
The IUPAC name of 4-phenylmethoxy-2-(phenylmethoxymethyl)aniline (CID 58999316) is 4-phenylmethoxy-2-(phenylmethoxymethyl)aniline.
What is the SMILES notation for 4-phenylmethoxy-2-(phenylmethoxymethyl)aniline?
The canonical SMILES for 4-phenylmethoxy-2-(phenylmethoxymethyl)aniline is Nc1ccc(OCc2ccccc2)cc1COCc1ccccc1.
What is the InChIKey of 4-phenylmethoxy-2-(phenylmethoxymethyl)aniline?
The InChIKey is NCJURWMIMUARGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c22-21-12-11-20(24-15-18-9-5-2-6-10-18)13-19(21)16-23-14-17-7-3-1-4-8-17/h1-13H,14-16,22H2.
What are the key properties of 4-phenylmethoxy-2-(phenylmethoxymethyl)aniline?
4-phenylmethoxy-2-(phenylmethoxymethyl)aniline has a molecular weight of 319.40 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxy-2-(phenylmethoxymethyl)aniline is sourced from PubChem (CID 58999316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).