2-bromo-N-methyl-4-(methylaminomethyl)-N-(2-methylbutan-2-yl)aniline

C14H23BrN2 — CID 114062831

IUPAC2-bromo-N-methyl-4-(methylaminomethyl)-N-(2-methylbutan-2-yl)aniline
SMILESCCC(C)(C)N(C)c1ccc(CNC)cc1Br
InChIInChI=1S/C14H23BrN2/c1-6-14(2,3)17(5)13-8-7-11(10-16-4)9-12(13)15/h7-9,16H,6,10H2,1-5H3
InChIKeyPFXHNJHEWUSKDH-UHFFFAOYSA-N
MW299.26 g/mol
LogP3.79
Rot. Bonds5

About 2-bromo-N-methyl-4-(methylaminomethyl)-N-(2-methylbutan-2-yl)aniline

2-bromo-N-methyl-4-(methylaminomethyl)-N-(2-methylbutan-2-yl)aniline (PubChem CID 114062831) has the molecular formula C14H23BrN2 and a molecular weight of 299.26 g/mol. Its IUPAC name is 2-bromo-N-methyl-4-(methylaminomethyl)-N-(2-methylbutan-2-yl)aniline.

Molecular Properties

Compound Name2-bromo-N-methyl-4-(methylaminomethyl)-N-(2-methylbutan-2-yl)aniline
PubChem CID114062831
Molecular FormulaC14H23BrN2
Molecular Weight299.26 g/mol
Exact Mass298.10
IUPAC Name2-bromo-N-methyl-4-(methylaminomethyl)-N-(2-methylbutan-2-yl)aniline
SMILESCCC(C)(C)N(C)c1ccc(CNC)cc1Br
InChIInChI=1S/C14H23BrN2/c1-6-14(2,3)17(5)13-8-7-11(10-16-4)9-12(13)15/h7-9,16H,6,10H2,1-5H3
InChIKeyPFXHNJHEWUSKDH-UHFFFAOYSA-N
XLogP3.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 53.79
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

2-[2-bromo-N-methyl-4-(methylaminomethyl)anilino]-2-methylpropan-1-ol
CID 114062856
4-(ethylaminomethyl)-2-fluoro-N-methyl-N-(2-methylbutan-2-yl)aniline
CID 63964432
2-bromo-N-cyclopentyl-N-ethyl-4-(methylaminomethyl)aniline
CID 114062715
1-(3-bromo-4-chlorophenyl)-N-methylmethanamine
CID 75355471
2-chloro-4-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-methylbutan-2-yl)aniline
CID 81149934
1-(3-bromo-4-ethoxyphenyl)-N-methylmethanamine
CID 17157575
2-[2-bromo-N-cyclobutyl-4-(methylaminomethyl)anilino]ethanol
CID 114062871
4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(2-methylbutan-2-yl)aniline
CID 82968175
2-(1-aminoethyl)-4-bromo-N-methyl-N-(2-methylbutan-2-yl)aniline
CID 82968527
1-[3-bromo-4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]-N-methylmethanamine
CID 102769304
1-[2-fluoro-N-methyl-4-(methylaminomethyl)anilino]-2-methylpropan-2-ol
CID 79389415
2-bromo-N-ethyl-4-(methylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide
CID 79472642

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-4-(methylaminomethyl)-N-(2-methylbutan-2-yl)aniline?
The IUPAC name of 2-bromo-N-methyl-4-(methylaminomethyl)-N-(2-methylbutan-2-yl)aniline (CID 114062831) is 2-bromo-N-methyl-4-(methylaminomethyl)-N-(2-methylbutan-2-yl)aniline.
What is the SMILES notation for 2-bromo-N-methyl-4-(methylaminomethyl)-N-(2-methylbutan-2-yl)aniline?
The canonical SMILES for 2-bromo-N-methyl-4-(methylaminomethyl)-N-(2-methylbutan-2-yl)aniline is CCC(C)(C)N(C)c1ccc(CNC)cc1Br.
What is the InChIKey of 2-bromo-N-methyl-4-(methylaminomethyl)-N-(2-methylbutan-2-yl)aniline?
The InChIKey is PFXHNJHEWUSKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2/c1-6-14(2,3)17(5)13-8-7-11(10-16-4)9-12(13)15/h7-9,16H,6,10H2,1-5H3.
What are the key properties of 2-bromo-N-methyl-4-(methylaminomethyl)-N-(2-methylbutan-2-yl)aniline?
2-bromo-N-methyl-4-(methylaminomethyl)-N-(2-methylbutan-2-yl)aniline has a molecular weight of 299.26 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-methyl-4-(methylaminomethyl)-N-(2-methylbutan-2-yl)aniline is sourced from PubChem (CID 114062831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).