2-[(2-amino-4-methylphenyl)methoxymethyl]-5-methylaniline

C16H20N2O — CID 141256981

IUPAC2-[(2-amino-4-methylphenyl)methoxymethyl]-5-methylaniline
SMILESCc1ccc(COCc2ccc(C)cc2N)c(N)c1
InChIInChI=1S/C16H20N2O/c1-11-3-5-13(15(17)7-11)9-19-10-14-6-4-12(2)8-16(14)18/h3-8H,9-10,17-18H2,1-2H3
InChIKeyAOSSCLWWUMQVCT-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.18
Rot. Bonds4

About 2-[(2-amino-4-methylphenyl)methoxymethyl]-5-methylaniline

2-[(2-amino-4-methylphenyl)methoxymethyl]-5-methylaniline (PubChem CID 141256981) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[(2-amino-4-methylphenyl)methoxymethyl]-5-methylaniline.

Molecular Properties

Compound Name2-[(2-amino-4-methylphenyl)methoxymethyl]-5-methylaniline
PubChem CID141256981
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-[(2-amino-4-methylphenyl)methoxymethyl]-5-methylaniline
SMILESCc1ccc(COCc2ccc(C)cc2N)c(N)c1
InChIInChI=1S/C16H20N2O/c1-11-3-5-13(15(17)7-11)9-19-10-14-6-4-12(2)8-16(14)18/h3-8H,9-10,17-18H2,1-2H3
InChIKeyAOSSCLWWUMQVCT-UHFFFAOYSA-N
XLogP3.18
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-fluorophenyl)methoxymethyl]-5-methylaniline
CID 155580430
2-(chloromethyl)-5-methylaniline
CID 91883475
2-[[4-fluoro-2-(trifluoromethyl)phenyl]methoxymethyl]-5-methylaniline
CID 155581546
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylaniline
CID 155655100
5-methyl-2-prop-2-enylaniline
CID 45078970
1-(2-amino-4-methylphenyl)pentan-3-one;hydrochloride
CID 68905541
2,2,2-trifluoroethyl 2-(2-amino-4-methylphenyl)acetate
CID 99991426
2-[(2-chloro-4-methylphenyl)methoxy]-5-methylaniline
CID 106861432
5-chloro-2-[(4-chlorophenyl)methoxymethyl]aniline
CID 65124394
5-bromo-2-[(2-chloro-5-methylphenoxy)methyl]aniline
CID 114380808
2-(cycloheptylmethyl)-5-methylaniline
CID 105471815
(2R)-1-[(2,4-dimethylphenyl)methoxy]propan-2-amine
CID 96656753

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-methylphenyl)methoxymethyl]-5-methylaniline?
The IUPAC name of 2-[(2-amino-4-methylphenyl)methoxymethyl]-5-methylaniline (CID 141256981) is 2-[(2-amino-4-methylphenyl)methoxymethyl]-5-methylaniline.
What is the SMILES notation for 2-[(2-amino-4-methylphenyl)methoxymethyl]-5-methylaniline?
The canonical SMILES for 2-[(2-amino-4-methylphenyl)methoxymethyl]-5-methylaniline is Cc1ccc(COCc2ccc(C)cc2N)c(N)c1.
What is the InChIKey of 2-[(2-amino-4-methylphenyl)methoxymethyl]-5-methylaniline?
The InChIKey is AOSSCLWWUMQVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11-3-5-13(15(17)7-11)9-19-10-14-6-4-12(2)8-16(14)18/h3-8H,9-10,17-18H2,1-2H3.
What are the key properties of 2-[(2-amino-4-methylphenyl)methoxymethyl]-5-methylaniline?
2-[(2-amino-4-methylphenyl)methoxymethyl]-5-methylaniline has a molecular weight of 256.35 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-methylphenyl)methoxymethyl]-5-methylaniline is sourced from PubChem (CID 141256981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).