5-bromo-N-(2-methylpropyl)-N-propan-2-yl-2-[(propan-2-ylamino)methyl]aniline

C17H29BrN2 — CID 63553056

IUPAC5-bromo-N-(2-methylpropyl)-N-propan-2-yl-2-[(propan-2-ylamino)methyl]aniline
SMILESCC(C)CN(c1cc(Br)ccc1CNC(C)C)C(C)C
InChIInChI=1S/C17H29BrN2/c1-12(2)11-20(14(5)6)17-9-16(18)8-7-15(17)10-19-13(3)4/h7-9,12-14,19H,10-11H2,1-6H3
InChIKeyJUVJYAIKUPSZAF-UHFFFAOYSA-N
MW341.34 g/mol
LogP4.82
Rot. Bonds7

About 5-bromo-N-(2-methylpropyl)-N-propan-2-yl-2-[(propan-2-ylamino)methyl]aniline

5-bromo-N-(2-methylpropyl)-N-propan-2-yl-2-[(propan-2-ylamino)methyl]aniline (PubChem CID 63553056) has the molecular formula C17H29BrN2 and a molecular weight of 341.34 g/mol. Its IUPAC name is 5-bromo-N-(2-methylpropyl)-N-propan-2-yl-2-[(propan-2-ylamino)methyl]aniline.

Molecular Properties

Compound Name5-bromo-N-(2-methylpropyl)-N-propan-2-yl-2-[(propan-2-ylamino)methyl]aniline
PubChem CID63553056
Molecular FormulaC17H29BrN2
Molecular Weight341.34 g/mol
Exact Mass340.15
IUPAC Name5-bromo-N-(2-methylpropyl)-N-propan-2-yl-2-[(propan-2-ylamino)methyl]aniline
SMILESCC(C)CN(c1cc(Br)ccc1CNC(C)C)C(C)C
InChIInChI=1S/C17H29BrN2/c1-12(2)11-20(14(5)6)17-9-16(18)8-7-15(17)10-19-13(3)4/h7-9,12-14,19H,10-11H2,1-6H3
InChIKeyJUVJYAIKUPSZAF-UHFFFAOYSA-N
XLogP4.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-(chloromethyl)-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 63541934
5-bromo-N-ethyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 43281562
5-bromo-N-ethyl-N-phenyl-2-[(propan-2-ylamino)methyl]aniline
CID 43281059
5-bromo-2-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-propan-2-ylaniline
CID 63550636
3-[5-bromo-2-[(2-methylpropylamino)methyl]-N-propan-2-ylanilino]propan-1-ol
CID 63070706
[4-bromo-2-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol
CID 79483470
5-bromo-2-[(tert-butylamino)methyl]-N-propan-2-yl-N-propylaniline
CID 63550583
5-bromo-2-(bromomethyl)-N-(cyclopropylmethyl)-N-propan-2-ylaniline
CID 107082009
5-bromo-N-methyl-N-(oxan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]aniline
CID 61432414
5-bromo-2-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 82959718
N-[[4-bromo-2-(4-methylpyrazol-1-yl)phenyl]methyl]propan-2-amine
CID 60872941
5-bromo-N-ethyl-N-propan-2-yl-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 55054384

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methylpropyl)-N-propan-2-yl-2-[(propan-2-ylamino)methyl]aniline?
The IUPAC name of 5-bromo-N-(2-methylpropyl)-N-propan-2-yl-2-[(propan-2-ylamino)methyl]aniline (CID 63553056) is 5-bromo-N-(2-methylpropyl)-N-propan-2-yl-2-[(propan-2-ylamino)methyl]aniline.
What is the SMILES notation for 5-bromo-N-(2-methylpropyl)-N-propan-2-yl-2-[(propan-2-ylamino)methyl]aniline?
The canonical SMILES for 5-bromo-N-(2-methylpropyl)-N-propan-2-yl-2-[(propan-2-ylamino)methyl]aniline is CC(C)CN(c1cc(Br)ccc1CNC(C)C)C(C)C.
What is the InChIKey of 5-bromo-N-(2-methylpropyl)-N-propan-2-yl-2-[(propan-2-ylamino)methyl]aniline?
The InChIKey is JUVJYAIKUPSZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29BrN2/c1-12(2)11-20(14(5)6)17-9-16(18)8-7-15(17)10-19-13(3)4/h7-9,12-14,19H,10-11H2,1-6H3.
What are the key properties of 5-bromo-N-(2-methylpropyl)-N-propan-2-yl-2-[(propan-2-ylamino)methyl]aniline?
5-bromo-N-(2-methylpropyl)-N-propan-2-yl-2-[(propan-2-ylamino)methyl]aniline has a molecular weight of 341.34 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methylpropyl)-N-propan-2-yl-2-[(propan-2-ylamino)methyl]aniline is sourced from PubChem (CID 63553056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).