2-[[bis(2-methylpropyl)amino]methyl]-5-methoxyaniline

C16H28N2O — CID 115413853

IUPAC2-[[bis(2-methylpropyl)amino]methyl]-5-methoxyaniline
SMILESCOc1ccc(CN(CC(C)C)CC(C)C)c(N)c1
InChIInChI=1S/C16H28N2O/c1-12(2)9-18(10-13(3)4)11-14-6-7-15(19-5)8-16(14)17/h6-8,12-13H,9-11,17H2,1-5H3
InChIKeyXXBAMNYLSZGJDP-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.39
Rot. Bonds7

About 2-[[bis(2-methylpropyl)amino]methyl]-5-methoxyaniline

2-[[bis(2-methylpropyl)amino]methyl]-5-methoxyaniline (PubChem CID 115413853) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-[[bis(2-methylpropyl)amino]methyl]-5-methoxyaniline.

Molecular Properties

Compound Name2-[[bis(2-methylpropyl)amino]methyl]-5-methoxyaniline
PubChem CID115413853
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-[[bis(2-methylpropyl)amino]methyl]-5-methoxyaniline
SMILESCOc1ccc(CN(CC(C)C)CC(C)C)c(N)c1
InChIInChI=1S/C16H28N2O/c1-12(2)9-18(10-13(3)4)11-14-6-7-15(19-5)8-16(14)17/h6-8,12-13H,9-11,17H2,1-5H3
InChIKeyXXBAMNYLSZGJDP-UHFFFAOYSA-N
XLogP3.39
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.39
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-[(dimethylamino)methyl]-5-methoxyaniline
CID 53407611
N'-[(2-bromo-5-methoxyphenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 65323346
2-N-[(2-amino-4-methoxyphenyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189509
5-methoxy-2-[[propan-2-yl(propyl)amino]methyl]aniline
CID 113305237
5-fluoro-2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]aniline
CID 64770363
5-methoxy-2-[[2-methoxyethyl(prop-2-enyl)amino]methyl]aniline
CID 103339303
5-methoxy-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 113305265
2-[[cyclopropylmethyl(methyl)amino]methyl]-5-methoxyaniline
CID 115413829
2-benzyl-5-methoxyaniline;ethane
CID 142463807
5-methoxy-2-[(2-methoxy-N-methylanilino)methyl]aniline
CID 115414026
1-(2-amino-4-methoxyphenyl)-3-bromopropan-2-one
CID 118826696
3-[(2-amino-4-bromophenyl)methyl-(2-methylpropyl)amino]propanenitrile
CID 114380436

Frequently Asked Questions

What is the IUPAC name of 2-[[bis(2-methylpropyl)amino]methyl]-5-methoxyaniline?
The IUPAC name of 2-[[bis(2-methylpropyl)amino]methyl]-5-methoxyaniline (CID 115413853) is 2-[[bis(2-methylpropyl)amino]methyl]-5-methoxyaniline.
What is the SMILES notation for 2-[[bis(2-methylpropyl)amino]methyl]-5-methoxyaniline?
The canonical SMILES for 2-[[bis(2-methylpropyl)amino]methyl]-5-methoxyaniline is COc1ccc(CN(CC(C)C)CC(C)C)c(N)c1.
What is the InChIKey of 2-[[bis(2-methylpropyl)amino]methyl]-5-methoxyaniline?
The InChIKey is XXBAMNYLSZGJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-12(2)9-18(10-13(3)4)11-14-6-7-15(19-5)8-16(14)17/h6-8,12-13H,9-11,17H2,1-5H3.
What are the key properties of 2-[[bis(2-methylpropyl)amino]methyl]-5-methoxyaniline?
2-[[bis(2-methylpropyl)amino]methyl]-5-methoxyaniline has a molecular weight of 264.41 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(2-methylpropyl)amino]methyl]-5-methoxyaniline is sourced from PubChem (CID 115413853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).