1-(2,4-dimethoxyphenyl)-N-phenylmethoxymethanamine

C16H19NO3 — CID 82708945

IUPAC1-(2,4-dimethoxyphenyl)-N-phenylmethoxymethanamine
SMILESCOc1ccc(CNOCc2ccccc2)c(OC)c1
InChIInChI=1S/C16H19NO3/c1-18-15-9-8-14(16(10-15)19-2)11-17-20-12-13-6-4-3-5-7-13/h3-10,17H,11-12H2,1-2H3
InChIKeyUTXMDWDUQDFASL-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.93
Rot. Bonds7

About 1-(2,4-dimethoxyphenyl)-N-phenylmethoxymethanamine

1-(2,4-dimethoxyphenyl)-N-phenylmethoxymethanamine (PubChem CID 82708945) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-N-phenylmethoxymethanamine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-N-phenylmethoxymethanamine
PubChem CID82708945
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name1-(2,4-dimethoxyphenyl)-N-phenylmethoxymethanamine
SMILESCOc1ccc(CNOCc2ccccc2)c(OC)c1
InChIInChI=1S/C16H19NO3/c1-18-15-9-8-14(16(10-15)19-2)11-17-20-12-13-6-4-3-5-7-13/h3-10,17H,11-12H2,1-2H3
InChIKeyUTXMDWDUQDFASL-UHFFFAOYSA-N
XLogP2.93
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 17293467
1-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-[[3-(phenylmethoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111878822
1-[(2,4-dimethoxyphenyl)methyl]-2-phenylhydrazine
CID 169384267
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 738572
2,4-dimethoxy-1-[3-[2-[(4-methoxyphenyl)methoxy]-4-phenylmethoxyphenyl]propyl]benzene
CID 139826525
(2-methoxy-4-phenylmethoxyphenyl)methylcarbamic acid
CID 68757706
N-[(2,4-dimethoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 119126928
2-[[(2,4-dimethoxyphenyl)methylamino]methyl]phenol
CID 62732592
1-ethyl-2-methoxy-4-phenylmethoxybenzene
CID 130330824
1-(2,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 39370180
tert-butyl N-[(4-methoxy-2-phenylmethoxyphenyl)methyl]carbamate
CID 68795475
4-methoxy-2-phenylmethoxy-1-prop-2-enylbenzene
CID 68966556

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-N-phenylmethoxymethanamine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-N-phenylmethoxymethanamine (CID 82708945) is 1-(2,4-dimethoxyphenyl)-N-phenylmethoxymethanamine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-N-phenylmethoxymethanamine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-N-phenylmethoxymethanamine is COc1ccc(CNOCc2ccccc2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-N-phenylmethoxymethanamine?
The InChIKey is UTXMDWDUQDFASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-18-15-9-8-14(16(10-15)19-2)11-17-20-12-13-6-4-3-5-7-13/h3-10,17H,11-12H2,1-2H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-N-phenylmethoxymethanamine?
1-(2,4-dimethoxyphenyl)-N-phenylmethoxymethanamine has a molecular weight of 273.33 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-N-phenylmethoxymethanamine is sourced from PubChem (CID 82708945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).