5-bromo-N-butan-2-yl-N-methyl-2-(methylaminomethyl)aniline

C13H21BrN2 — CID 43281950

IUPAC5-bromo-N-butan-2-yl-N-methyl-2-(methylaminomethyl)aniline
SMILESCCC(C)N(C)c1cc(Br)ccc1CNC
InChIInChI=1S/C13H21BrN2/c1-5-10(2)16(4)13-8-12(14)7-6-11(13)9-15-3/h6-8,10,15H,5,9H2,1-4H3
InChIKeyMDPOGOZTCRJVNT-UHFFFAOYSA-N
MW285.23 g/mol
LogP3.40
Rot. Bonds5

About 5-bromo-N-butan-2-yl-N-methyl-2-(methylaminomethyl)aniline

5-bromo-N-butan-2-yl-N-methyl-2-(methylaminomethyl)aniline (PubChem CID 43281950) has the molecular formula C13H21BrN2 and a molecular weight of 285.23 g/mol. Its IUPAC name is 5-bromo-N-butan-2-yl-N-methyl-2-(methylaminomethyl)aniline.

Molecular Properties

Compound Name5-bromo-N-butan-2-yl-N-methyl-2-(methylaminomethyl)aniline
PubChem CID43281950
Molecular FormulaC13H21BrN2
Molecular Weight285.23 g/mol
Exact Mass284.09
IUPAC Name5-bromo-N-butan-2-yl-N-methyl-2-(methylaminomethyl)aniline
SMILESCCC(C)N(C)c1cc(Br)ccc1CNC
InChIInChI=1S/C13H21BrN2/c1-5-10(2)16(4)13-8-12(14)7-6-11(13)9-15-3/h6-8,10,15H,5,9H2,1-4H3
InChIKeyMDPOGOZTCRJVNT-UHFFFAOYSA-N
XLogP3.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N,N-dimethyl-2-(methylaminomethyl)aniline
CID 43281259
5-bromo-N,N-diethyl-2-(methylaminomethyl)aniline
CID 43280334
N-butan-2-yl-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine
CID 81249618
2-[5-bromo-N-methyl-2-(propylaminomethyl)anilino]propan-1-ol
CID 104552856
5-bromo-N-methyl-N-pentan-3-yl-2-(propylaminomethyl)aniline
CID 43571422
5-bromo-2-(bromomethyl)-N-methyl-N-pentan-2-ylaniline
CID 107080465
2-(aminomethyl)-4-bromo-N-butan-2-yl-N-methylaniline
CID 114889459
N'-[5-bromo-2-(methylaminomethyl)phenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63700074
5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-(4-methylpentan-2-yl)aniline
CID 63553054
5-bromo-N-ethyl-2-(methylaminomethyl)-N-(4-methylphenyl)aniline
CID 63551959
N-butan-2-yl-2-chloro-N-methyl-4-(methylaminomethyl)aniline
CID 81148692
5-bromo-N-ethyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 43281562

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-butan-2-yl-N-methyl-2-(methylaminomethyl)aniline?
The IUPAC name of 5-bromo-N-butan-2-yl-N-methyl-2-(methylaminomethyl)aniline (CID 43281950) is 5-bromo-N-butan-2-yl-N-methyl-2-(methylaminomethyl)aniline.
What is the SMILES notation for 5-bromo-N-butan-2-yl-N-methyl-2-(methylaminomethyl)aniline?
The canonical SMILES for 5-bromo-N-butan-2-yl-N-methyl-2-(methylaminomethyl)aniline is CCC(C)N(C)c1cc(Br)ccc1CNC.
What is the InChIKey of 5-bromo-N-butan-2-yl-N-methyl-2-(methylaminomethyl)aniline?
The InChIKey is MDPOGOZTCRJVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2/c1-5-10(2)16(4)13-8-12(14)7-6-11(13)9-15-3/h6-8,10,15H,5,9H2,1-4H3.
What are the key properties of 5-bromo-N-butan-2-yl-N-methyl-2-(methylaminomethyl)aniline?
5-bromo-N-butan-2-yl-N-methyl-2-(methylaminomethyl)aniline has a molecular weight of 285.23 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-butan-2-yl-N-methyl-2-(methylaminomethyl)aniline is sourced from PubChem (CID 43281950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).