5-bromo-2-[(tert-butylamino)methyl]-N-propan-2-yl-N-propylaniline

C17H29BrN2 — CID 63550583

IUPAC5-bromo-2-[(tert-butylamino)methyl]-N-propan-2-yl-N-propylaniline
SMILESCCCN(c1cc(Br)ccc1CNC(C)(C)C)C(C)C
InChIInChI=1S/C17H29BrN2/c1-7-10-20(13(2)3)16-11-15(18)9-8-14(16)12-19-17(4,5)6/h8-9,11,13,19H,7,10,12H2,1-6H3
InChIKeyWMUQWHXCJBRYLL-UHFFFAOYSA-N
MW341.34 g/mol
LogP4.96
Rot. Bonds6

About 5-bromo-2-[(tert-butylamino)methyl]-N-propan-2-yl-N-propylaniline

5-bromo-2-[(tert-butylamino)methyl]-N-propan-2-yl-N-propylaniline (PubChem CID 63550583) has the molecular formula C17H29BrN2 and a molecular weight of 341.34 g/mol. Its IUPAC name is 5-bromo-2-[(tert-butylamino)methyl]-N-propan-2-yl-N-propylaniline.

Molecular Properties

Compound Name5-bromo-2-[(tert-butylamino)methyl]-N-propan-2-yl-N-propylaniline
PubChem CID63550583
Molecular FormulaC17H29BrN2
Molecular Weight341.34 g/mol
Exact Mass340.15
IUPAC Name5-bromo-2-[(tert-butylamino)methyl]-N-propan-2-yl-N-propylaniline
SMILESCCCN(c1cc(Br)ccc1CNC(C)(C)C)C(C)C
InChIInChI=1S/C17H29BrN2/c1-7-10-20(13(2)3)16-11-15(18)9-8-14(16)12-19-17(4,5)6/h8-9,11,13,19H,7,10,12H2,1-6H3
InChIKeyWMUQWHXCJBRYLL-UHFFFAOYSA-N
XLogP4.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-propan-2-ylaniline
CID 63550636
2-[2-[(tert-butylamino)methyl]-5-chloro-N-propan-2-ylanilino]ethanol
CID 114849745
N-[(4-bromo-2-propylsulfanylphenyl)methyl]-2-methylpropan-2-amine
CID 55240564
5-bromo-N-(2-methylpropyl)-N-propan-2-yl-2-[(propan-2-ylamino)methyl]aniline
CID 63553056
3-[5-bromo-2-[(2-methylpropylamino)methyl]-N-propan-2-ylanilino]propan-1-ol
CID 63070706
2-[(tert-butylamino)methyl]-4-chloro-N-ethyl-N-propan-2-ylaniline
CID 114847920
5-bromo-2-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 82959718
4-[(tert-butylamino)methyl]-3-fluoro-N-propan-2-yl-N-propylpyridin-2-amine
CID 105384781
N-[(5-bromo-2-propylsulfanylphenyl)methyl]-2-methylpropan-2-amine
CID 114062029
5-bromo-N-(2-methoxyethyl)-N-propan-2-yl-2-[1-(propylamino)ethyl]aniline
CID 82956232
N-[[4-bromo-2-(4-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine
CID 63807631
2-[4-bromo-2-[(tert-butylamino)methyl]-N-methylanilino]ethanol
CID 114061761

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(tert-butylamino)methyl]-N-propan-2-yl-N-propylaniline?
The IUPAC name of 5-bromo-2-[(tert-butylamino)methyl]-N-propan-2-yl-N-propylaniline (CID 63550583) is 5-bromo-2-[(tert-butylamino)methyl]-N-propan-2-yl-N-propylaniline.
What is the SMILES notation for 5-bromo-2-[(tert-butylamino)methyl]-N-propan-2-yl-N-propylaniline?
The canonical SMILES for 5-bromo-2-[(tert-butylamino)methyl]-N-propan-2-yl-N-propylaniline is CCCN(c1cc(Br)ccc1CNC(C)(C)C)C(C)C.
What is the InChIKey of 5-bromo-2-[(tert-butylamino)methyl]-N-propan-2-yl-N-propylaniline?
The InChIKey is WMUQWHXCJBRYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29BrN2/c1-7-10-20(13(2)3)16-11-15(18)9-8-14(16)12-19-17(4,5)6/h8-9,11,13,19H,7,10,12H2,1-6H3.
What are the key properties of 5-bromo-2-[(tert-butylamino)methyl]-N-propan-2-yl-N-propylaniline?
5-bromo-2-[(tert-butylamino)methyl]-N-propan-2-yl-N-propylaniline has a molecular weight of 341.34 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(tert-butylamino)methyl]-N-propan-2-yl-N-propylaniline is sourced from PubChem (CID 63550583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).