4-[(tert-butylamino)methyl]-N-ethyl-N-propylaniline

C16H28N2 — CID 55147217

IUPAC4-[(tert-butylamino)methyl]-N-ethyl-N-propylaniline
SMILESCCCN(CC)c1ccc(CNC(C)(C)C)cc1
InChIInChI=1S/C16H28N2/c1-6-12-18(7-2)15-10-8-14(9-11-15)13-17-16(3,4)5/h8-11,17H,6-7,12-13H2,1-5H3
InChIKeyZRTYFTLGGBQASQ-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.81
Rot. Bonds6

About 4-[(tert-butylamino)methyl]-N-ethyl-N-propylaniline

4-[(tert-butylamino)methyl]-N-ethyl-N-propylaniline (PubChem CID 55147217) 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-propylaniline.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-N-ethyl-N-propylaniline
PubChem CID55147217
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name4-[(tert-butylamino)methyl]-N-ethyl-N-propylaniline
SMILESCCCN(CC)c1ccc(CNC(C)(C)C)cc1
InChIInChI=1S/C16H28N2/c1-6-12-18(7-2)15-10-8-14(9-11-15)13-17-16(3,4)5/h8-11,17H,6-7,12-13H2,1-5H3
InChIKeyZRTYFTLGGBQASQ-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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
4-[(tert-butylamino)methyl]-N-ethyl-3-methyl-N-propylaniline
CID 62135693
2-[4-[(tert-butylamino)methyl]-N-ethylanilino]acetamide
CID 103103191
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 22251747
4-[(tert-butylamino)methyl]-N-cyclopropyl-N-propylaniline
CID 63059830
4-[(tert-butylamino)methyl]-N-ethyl-N-(furan-2-ylmethyl)aniline
CID 63060085
4-[(tert-butylamino)methyl]-N-ethyl-N-propan-2-ylaniline
CID 63059473
4-(bromomethyl)-N-ethyl-N-propylaniline
CID 107079955
4-[(tert-butylamino)methyl]-2-fluoro-N,N-dipropylaniline
CID 63551322
2-[4-[(tert-butylamino)methyl]-N-(2,2-difluoroethyl)anilino]ethanol
CID 107481467
2-[[5-[(tert-butylamino)methyl]-2-pyridinyl]-propylamino]ethanol
CID 80630854
1-N,1-N,4-N,4-N-tetrapropylbenzene-1,4-diamine
CID 70004923

Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]-N-ethyl-N-propylaniline?
The IUPAC name of 4-[(tert-butylamino)methyl]-N-ethyl-N-propylaniline (CID 55147217) is 4-[(tert-butylamino)methyl]-N-ethyl-N-propylaniline.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-N-ethyl-N-propylaniline?
The canonical SMILES for 4-[(tert-butylamino)methyl]-N-ethyl-N-propylaniline is CCCN(CC)c1ccc(CNC(C)(C)C)cc1.
What is the InChIKey of 4-[(tert-butylamino)methyl]-N-ethyl-N-propylaniline?
The InChIKey is ZRTYFTLGGBQASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-6-12-18(7-2)15-10-8-14(9-11-15)13-17-16(3,4)5/h8-11,17H,6-7,12-13H2,1-5H3.
What are the key properties of 4-[(tert-butylamino)methyl]-N-ethyl-N-propylaniline?
4-[(tert-butylamino)methyl]-N-ethyl-N-propylaniline has a molecular weight of 248.41 g/mol, XLogP of 3.81, 6 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-propylaniline is sourced from PubChem (CID 55147217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).