5-(dimethoxymethyl)-2-phenylmethoxyaniline

C16H19NO3 — CID 154099564

IUPAC5-(dimethoxymethyl)-2-phenylmethoxyaniline
SMILESCOC(OC)c1ccc(OCc2ccccc2)c(N)c1
InChIInChI=1S/C16H19NO3/c1-18-16(19-2)13-8-9-15(14(17)10-13)20-11-12-6-4-3-5-7-12/h3-10,16H,11,17H2,1-2H3
InChIKeySBRQBBAMDJAWCE-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.14
Rot. Bonds6

About 5-(dimethoxymethyl)-2-phenylmethoxyaniline

5-(dimethoxymethyl)-2-phenylmethoxyaniline (PubChem CID 154099564) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 5-(dimethoxymethyl)-2-phenylmethoxyaniline.

Molecular Properties

Compound Name5-(dimethoxymethyl)-2-phenylmethoxyaniline
PubChem CID154099564
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name5-(dimethoxymethyl)-2-phenylmethoxyaniline
SMILESCOC(OC)c1ccc(OCc2ccccc2)c(N)c1
InChIInChI=1S/C16H19NO3/c1-18-16(19-2)13-8-9-15(14(17)10-13)20-11-12-6-4-3-5-7-12/h3-10,16H,11,17H2,1-2H3
InChIKeySBRQBBAMDJAWCE-UHFFFAOYSA-N
XLogP3.14
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-(difluoromethyl)-2-(4-phenylmethoxyphenoxy)aniline
CID 141002998
5-[1-(2-phenylethylamino)pentyl]-2-phenylmethoxyaniline
CID 70412352
2-(2-phenylethoxy)-5-propan-2-ylaniline
CID 54853034
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171212981
(1R)-3-fluoro-1-(4-methoxy-3-phenylmethoxyphenyl)propan-1-amine
CID 171213002
3-methoxy-4-phenylmethoxyaniline
CID 27226
2,5-dimethoxy-3-phenylmethoxyaniline
CID 168869511
[acetyloxy-(4-methoxy-3-phenylmethoxyphenyl)methyl] acetate
CID 101183057
(3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propan-1-ol;hydrochloride
CID 171213030
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)pentan-1-amine;hydrochloride
CID 171212991
2-phenylmethoxy-5-[3-(propan-2-ylamino)propyl]aniline
CID 82153119
4-[4-(3-amino-4-phenylmethoxyphenyl)-2,5-dimethoxyphenyl]phenol
CID 23538933

Frequently Asked Questions

What is the IUPAC name of 5-(dimethoxymethyl)-2-phenylmethoxyaniline?
The IUPAC name of 5-(dimethoxymethyl)-2-phenylmethoxyaniline (CID 154099564) is 5-(dimethoxymethyl)-2-phenylmethoxyaniline.
What is the SMILES notation for 5-(dimethoxymethyl)-2-phenylmethoxyaniline?
The canonical SMILES for 5-(dimethoxymethyl)-2-phenylmethoxyaniline is COC(OC)c1ccc(OCc2ccccc2)c(N)c1.
What is the InChIKey of 5-(dimethoxymethyl)-2-phenylmethoxyaniline?
The InChIKey is SBRQBBAMDJAWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-18-16(19-2)13-8-9-15(14(17)10-13)20-11-12-6-4-3-5-7-12/h3-10,16H,11,17H2,1-2H3.
What are the key properties of 5-(dimethoxymethyl)-2-phenylmethoxyaniline?
5-(dimethoxymethyl)-2-phenylmethoxyaniline has a molecular weight of 273.33 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethoxymethyl)-2-phenylmethoxyaniline is sourced from PubChem (CID 154099564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).