N-[(3-aminophenyl)methyl]-2-methoxy-N,5-dimethylaniline

C16H20N2O — CID 39358275

IUPACN-[(3-aminophenyl)methyl]-2-methoxy-N,5-dimethylaniline
SMILESCOc1ccc(C)cc1N(C)Cc1cccc(N)c1
InChIInChI=1S/C16H20N2O/c1-12-7-8-16(19-3)15(9-12)18(2)11-13-5-4-6-14(17)10-13/h4-10H,11,17H2,1-3H3
InChIKeyYUMZJXXJFCSDCH-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.22
Rot. Bonds4

About N-[(3-aminophenyl)methyl]-2-methoxy-N,5-dimethylaniline

N-[(3-aminophenyl)methyl]-2-methoxy-N,5-dimethylaniline (PubChem CID 39358275) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-2-methoxy-N,5-dimethylaniline.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-2-methoxy-N,5-dimethylaniline
PubChem CID39358275
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-[(3-aminophenyl)methyl]-2-methoxy-N,5-dimethylaniline
SMILESCOc1ccc(C)cc1N(C)Cc1cccc(N)c1
InChIInChI=1S/C16H20N2O/c1-12-7-8-16(19-3)15(9-12)18(2)11-13-5-4-6-14(17)10-13/h4-10H,11,17H2,1-3H3
InChIKeyYUMZJXXJFCSDCH-UHFFFAOYSA-N
XLogP3.22
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.22
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

N-ethyl-2-methoxy-N,5-dimethylaniline
CID 58577971
3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
CID 43383732
5-[(N,3-dimethylanilino)methyl]-2-methoxybenzoic acid
CID 65339079
2-iodo-1-N-methyl-1-N-[(3-methylphenyl)methyl]benzene-1,4-diamine
CID 66093340
N'-(2-methoxy-5-methylphenyl)-N'-methylbutane-1,4-diamine
CID 94259004
N-[(3-aminophenyl)methyl]-3-methoxy-N,4-dimethylbenzamide
CID 43457763
N-[(3-aminophenyl)methyl]-3-fluoro-4-methoxy-N-methylbenzamide
CID 62057932
1-amino-3-(2-methoxy-N,5-dimethylanilino)propan-2-one
CID 83822875
3-N-(2-methoxy-5-methylphenyl)-3-N-methylpropane-1,2,3-triamine
CID 115119499
3-fluoro-1-N-(2-methoxy-5-methylphenyl)-1-N-methylbenzene-1,2-diamine
CID 115127025
N-[(3-bromophenyl)methyl]-2-methoxy-N-methylaniline
CID 60965802
2-amino-3-(2-methoxy-N,5-dimethylanilino)propan-1-ol
CID 115120374

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-2-methoxy-N,5-dimethylaniline?
The IUPAC name of N-[(3-aminophenyl)methyl]-2-methoxy-N,5-dimethylaniline (CID 39358275) is N-[(3-aminophenyl)methyl]-2-methoxy-N,5-dimethylaniline.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-2-methoxy-N,5-dimethylaniline?
The canonical SMILES for N-[(3-aminophenyl)methyl]-2-methoxy-N,5-dimethylaniline is COc1ccc(C)cc1N(C)Cc1cccc(N)c1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-2-methoxy-N,5-dimethylaniline?
The InChIKey is YUMZJXXJFCSDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12-7-8-16(19-3)15(9-12)18(2)11-13-5-4-6-14(17)10-13/h4-10H,11,17H2,1-3H3.
What are the key properties of N-[(3-aminophenyl)methyl]-2-methoxy-N,5-dimethylaniline?
N-[(3-aminophenyl)methyl]-2-methoxy-N,5-dimethylaniline has a molecular weight of 256.35 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-2-methoxy-N,5-dimethylaniline is sourced from PubChem (CID 39358275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).