4-[(tert-butylamino)methyl]-N-ethyl-N-propan-2-ylaniline

C16H28N2 — CID 63059473

IUPAC4-[(tert-butylamino)methyl]-N-ethyl-N-propan-2-ylaniline
SMILESCCN(c1ccc(CNC(C)(C)C)cc1)C(C)C
InChIInChI=1S/C16H28N2/c1-7-18(13(2)3)15-10-8-14(9-11-15)12-17-16(4,5)6/h8-11,13,17H,7,12H2,1-6H3
InChIKeyMCNDMTFSUJHLPM-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.81
Rot. Bonds5

About 4-[(tert-butylamino)methyl]-N-ethyl-N-propan-2-ylaniline

4-[(tert-butylamino)methyl]-N-ethyl-N-propan-2-ylaniline (PubChem CID 63059473) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-N-ethyl-N-propan-2-ylaniline.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-N-ethyl-N-propan-2-ylaniline
PubChem CID63059473
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name4-[(tert-butylamino)methyl]-N-ethyl-N-propan-2-ylaniline
SMILESCCN(c1ccc(CNC(C)(C)C)cc1)C(C)C
InChIInChI=1S/C16H28N2/c1-7-18(13(2)3)15-10-8-14(9-11-15)12-17-16(4,5)6/h8-11,13,17H,7,12H2,1-6H3
InChIKeyMCNDMTFSUJHLPM-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[(tert-butylamino)methyl]-N,N-diethylaniline
CID 4719207
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 22251747
4-[(tert-butylamino)methyl]-N-ethyl-N-propylaniline
CID 55147217
N-ethyl-4-[1-(ethylamino)ethyl]-N-propan-2-ylaniline
CID 43284571
4-[(tert-butylamino)methyl]-N-ethyl-N-(furan-2-ylmethyl)aniline
CID 63060085
2-[4-[(tert-butylamino)methyl]-N-ethylanilino]acetamide
CID 103103191
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]thiohydroxylamine
CID 155479405
2-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]propan-2-amine
CID 59597807
2-[(tert-butylamino)methyl]-4-chloro-N-ethyl-N-propan-2-ylaniline
CID 114847920
4-[ethyl(propan-2-yl)amino]benzoic acid
CID 43265964
2-methyl-N-[[4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]phenyl]methyl]propan-2-amine
CID 115987875
2-methyl-N-[[4-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]methyl]propan-2-amine
CID 62424640

Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]-N-ethyl-N-propan-2-ylaniline?
The IUPAC name of 4-[(tert-butylamino)methyl]-N-ethyl-N-propan-2-ylaniline (CID 63059473) is 4-[(tert-butylamino)methyl]-N-ethyl-N-propan-2-ylaniline.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-N-ethyl-N-propan-2-ylaniline?
The canonical SMILES for 4-[(tert-butylamino)methyl]-N-ethyl-N-propan-2-ylaniline is CCN(c1ccc(CNC(C)(C)C)cc1)C(C)C.
What is the InChIKey of 4-[(tert-butylamino)methyl]-N-ethyl-N-propan-2-ylaniline?
The InChIKey is MCNDMTFSUJHLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-7-18(13(2)3)15-10-8-14(9-11-15)12-17-16(4,5)6/h8-11,13,17H,7,12H2,1-6H3.
What are the key properties of 4-[(tert-butylamino)methyl]-N-ethyl-N-propan-2-ylaniline?
4-[(tert-butylamino)methyl]-N-ethyl-N-propan-2-ylaniline has a molecular weight of 248.41 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(tert-butylamino)methyl]-N-ethyl-N-propan-2-ylaniline is sourced from PubChem (CID 63059473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).