4-[(tert-butylamino)methyl]-N,2-dimethyl-N-propylaniline

C16H28N2 — CID 62120667

IUPAC4-[(tert-butylamino)methyl]-N,2-dimethyl-N-propylaniline
SMILESCCCN(C)c1ccc(CNC(C)(C)C)cc1C
InChIInChI=1S/C16H28N2/c1-7-10-18(6)15-9-8-14(11-13(15)2)12-17-16(3,4)5/h8-9,11,17H,7,10,12H2,1-6H3
InChIKeyBEXGFFFLMCMBGA-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.73
Rot. Bonds5

About 4-[(tert-butylamino)methyl]-N,2-dimethyl-N-propylaniline

4-[(tert-butylamino)methyl]-N,2-dimethyl-N-propylaniline (PubChem CID 62120667) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-N,2-dimethyl-N-propylaniline.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-N,2-dimethyl-N-propylaniline
PubChem CID62120667
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name4-[(tert-butylamino)methyl]-N,2-dimethyl-N-propylaniline
SMILESCCCN(C)c1ccc(CNC(C)(C)C)cc1C
InChIInChI=1S/C16H28N2/c1-7-10-18(6)15-9-8-14(11-13(15)2)12-17-16(3,4)5/h8-9,11,17H,7,10,12H2,1-6H3
InChIKeyBEXGFFFLMCMBGA-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(tert-butylamino)methyl]-N,2-dimethyl-N-(3-methylbutyl)aniline
CID 63550606
4-[(tert-butylamino)methyl]-N,2-dimethyl-N-(2-methylsulfonylethyl)aniline
CID 79843635
4-[(tert-butylamino)methyl]-N,2-dimethyl-N-pentan-2-ylaniline
CID 63550593
4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-2-methyl-N-propylaniline
CID 63550613
N-butyl-4-[(tert-butylamino)methyl]-2-fluoro-N-methylaniline
CID 63061057
N-butyl-4-[(tert-butylamino)methyl]-2-chloro-N-methylaniline
CID 81149131
4-[(tert-butylamino)methyl]-N-(furan-3-ylmethyl)-N,2-dimethylaniline
CID 62121037
4-[(tert-butylamino)methyl]-2-fluoro-N,N-dipropylaniline
CID 63551322
4-[(tert-butylamino)methyl]-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 62123132
2-[4-[(tert-butylamino)methyl]-N-ethyl-2-methylanilino]-N-methylacetamide
CID 62120854
N'-[4-[(tert-butylamino)methyl]-2-fluorophenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63700770
N-(2,2-dimethylpropyl)-4-(ethylaminomethyl)-N,2-dimethylaniline
CID 62122953

Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]-N,2-dimethyl-N-propylaniline?
The IUPAC name of 4-[(tert-butylamino)methyl]-N,2-dimethyl-N-propylaniline (CID 62120667) is 4-[(tert-butylamino)methyl]-N,2-dimethyl-N-propylaniline.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-N,2-dimethyl-N-propylaniline?
The canonical SMILES for 4-[(tert-butylamino)methyl]-N,2-dimethyl-N-propylaniline is CCCN(C)c1ccc(CNC(C)(C)C)cc1C.
What is the InChIKey of 4-[(tert-butylamino)methyl]-N,2-dimethyl-N-propylaniline?
The InChIKey is BEXGFFFLMCMBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-7-10-18(6)15-9-8-14(11-13(15)2)12-17-16(3,4)5/h8-9,11,17H,7,10,12H2,1-6H3.
What are the key properties of 4-[(tert-butylamino)methyl]-N,2-dimethyl-N-propylaniline?
4-[(tert-butylamino)methyl]-N,2-dimethyl-N-propylaniline has a molecular weight of 248.41 g/mol, XLogP of 3.73, 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,2-dimethyl-N-propylaniline is sourced from PubChem (CID 62120667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).