4-bromo-2-(ethylaminomethyl)-N-methyl-N-(2-methylbutyl)aniline

C15H25BrN2 — CID 114061749

IUPAC4-bromo-2-(ethylaminomethyl)-N-methyl-N-(2-methylbutyl)aniline
SMILESCCNCc1cc(Br)ccc1N(C)CC(C)CC
InChIInChI=1S/C15H25BrN2/c1-5-12(3)11-18(4)15-8-7-14(16)9-13(15)10-17-6-2/h7-9,12,17H,5-6,10-11H2,1-4H3
InChIKeySCCHALGOCRWKIL-UHFFFAOYSA-N
MW313.28 g/mol
LogP4.04
Rot. Bonds7

About 4-bromo-2-(ethylaminomethyl)-N-methyl-N-(2-methylbutyl)aniline

4-bromo-2-(ethylaminomethyl)-N-methyl-N-(2-methylbutyl)aniline (PubChem CID 114061749) has the molecular formula C15H25BrN2 and a molecular weight of 313.28 g/mol. Its IUPAC name is 4-bromo-2-(ethylaminomethyl)-N-methyl-N-(2-methylbutyl)aniline.

Molecular Properties

Compound Name4-bromo-2-(ethylaminomethyl)-N-methyl-N-(2-methylbutyl)aniline
PubChem CID114061749
Molecular FormulaC15H25BrN2
Molecular Weight313.28 g/mol
Exact Mass312.12
IUPAC Name4-bromo-2-(ethylaminomethyl)-N-methyl-N-(2-methylbutyl)aniline
SMILESCCNCc1cc(Br)ccc1N(C)CC(C)CC
InChIInChI=1S/C15H25BrN2/c1-5-12(3)11-18(4)15-8-7-14(16)9-13(15)10-17-6-2/h7-9,12,17H,5-6,10-11H2,1-4H3
InChIKeySCCHALGOCRWKIL-UHFFFAOYSA-N
XLogP4.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-(ethylaminomethyl)-N-methyl-N-(3-methylbutyl)aniline
CID 114061769
2-(2-aminobutyl)-5-bromo-N-methyl-N-(2-methylbutyl)aniline
CID 55235251
3-[[5-fluoro-2-[methyl(2-methylbutyl)amino]phenyl]methylamino]propanoic acid
CID 120913149
2-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)aniline
CID 43281923
2-[[5-fluoro-2-[methyl(2-methylbutyl)amino]phenyl]methylamino]propanoic acid
CID 120913271
5-chloro-N-ethyl-2-(ethylaminomethyl)-N-(2-methylbutyl)aniline
CID 114852451
2-(aminomethyl)-N,4-dimethyl-N-(2-methylbutyl)aniline
CID 107926001
4-chloro-2-(ethylaminomethyl)-N-methyl-N-propylaniline
CID 114848022
2-[[(4-ethyl-1,2,4-triazol-3-yl)methylamino]methyl]-4-fluoro-N-methyl-N-[(2R)-2-methylbutyl]aniline
CID 95631800
2-(aminomethyl)-4-fluoro-N-methyl-N-(2-methylbutyl)aniline
CID 43314003
2-[4-chloro-2-(ethylaminomethyl)-N-methylanilino]-N-propan-2-ylacetamide
CID 114850041
5-bromo-N-cyclohexyl-2-(ethylaminomethyl)-N-methylaniline
CID 43280842

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(ethylaminomethyl)-N-methyl-N-(2-methylbutyl)aniline?
The IUPAC name of 4-bromo-2-(ethylaminomethyl)-N-methyl-N-(2-methylbutyl)aniline (CID 114061749) is 4-bromo-2-(ethylaminomethyl)-N-methyl-N-(2-methylbutyl)aniline.
What is the SMILES notation for 4-bromo-2-(ethylaminomethyl)-N-methyl-N-(2-methylbutyl)aniline?
The canonical SMILES for 4-bromo-2-(ethylaminomethyl)-N-methyl-N-(2-methylbutyl)aniline is CCNCc1cc(Br)ccc1N(C)CC(C)CC.
What is the InChIKey of 4-bromo-2-(ethylaminomethyl)-N-methyl-N-(2-methylbutyl)aniline?
The InChIKey is SCCHALGOCRWKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2/c1-5-12(3)11-18(4)15-8-7-14(16)9-13(15)10-17-6-2/h7-9,12,17H,5-6,10-11H2,1-4H3.
What are the key properties of 4-bromo-2-(ethylaminomethyl)-N-methyl-N-(2-methylbutyl)aniline?
4-bromo-2-(ethylaminomethyl)-N-methyl-N-(2-methylbutyl)aniline has a molecular weight of 313.28 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(ethylaminomethyl)-N-methyl-N-(2-methylbutyl)aniline is sourced from PubChem (CID 114061749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).