2-[(tert-butylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)aniline

C17H30N2O — CID 81057039

IUPAC2-[(tert-butylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)aniline
SMILESCC(C)OCCN(C)c1ccccc1CNC(C)(C)C
InChIInChI=1S/C17H30N2O/c1-14(2)20-12-11-19(6)16-10-8-7-9-15(16)13-18-17(3,4)5/h7-10,14,18H,11-13H2,1-6H3
InChIKeyKXRLJMGXARQODG-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.44
Rot. Bonds7

About 2-[(tert-butylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)aniline

2-[(tert-butylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)aniline (PubChem CID 81057039) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-[(tert-butylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)aniline.

Molecular Properties

Compound Name2-[(tert-butylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)aniline
PubChem CID81057039
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name2-[(tert-butylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)aniline
SMILESCC(C)OCCN(C)c1ccccc1CNC(C)(C)C
InChIInChI=1S/C17H30N2O/c1-14(2)20-12-11-19(6)16-10-8-7-9-15(16)13-18-17(3,4)5/h7-10,14,18H,11-13H2,1-6H3
InChIKeyKXRLJMGXARQODG-UHFFFAOYSA-N
XLogP3.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)aniline
CID 81057315
2-[(tert-butylamino)methyl]-N-methyl-N-phenylaniline
CID 63060146
2-(1-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 81055890
2-[2-[(tert-butylamino)methyl]-N-methylanilino]-N-methylacetamide
CID 63059312
N-[2-[(tert-butylamino)methyl]phenyl]-N-methylcycloheptanamine
CID 63552828
2-[(tert-butylamino)methyl]-N-methyl-N-(1-thiophen-2-ylethyl)aniline
CID 63071477
N-[[2-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62460379
N-[[2-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62429121
2-[2-[(tert-butylamino)methyl]-N-pentan-3-ylanilino]ethanol
CID 63070901
2-[N-(2-amino-2-oxoethyl)-2-[(tert-butylamino)methyl]anilino]acetamide
CID 63072276
N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-2-propan-2-yloxyethanamine
CID 81067280
2-methyl-N-[[5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 81067972

Frequently Asked Questions

What is the IUPAC name of 2-[(tert-butylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)aniline?
The IUPAC name of 2-[(tert-butylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)aniline (CID 81057039) is 2-[(tert-butylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)aniline.
What is the SMILES notation for 2-[(tert-butylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)aniline?
The canonical SMILES for 2-[(tert-butylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)aniline is CC(C)OCCN(C)c1ccccc1CNC(C)(C)C.
What is the InChIKey of 2-[(tert-butylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)aniline?
The InChIKey is KXRLJMGXARQODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-14(2)20-12-11-19(6)16-10-8-7-9-15(16)13-18-17(3,4)5/h7-10,14,18H,11-13H2,1-6H3.
What are the key properties of 2-[(tert-butylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)aniline?
2-[(tert-butylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)aniline has a molecular weight of 278.44 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(tert-butylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)aniline is sourced from PubChem (CID 81057039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).