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

C15H25BrN2 — CID 114061965

IUPAC2-(2-aminopropyl)-4-bromo-N-methyl-N-(2-methylbutan-2-yl)aniline
SMILESCCC(C)(C)N(C)c1ccc(Br)cc1CC(C)N
InChIInChI=1S/C15H25BrN2/c1-6-15(3,4)18(5)14-8-7-13(16)10-12(14)9-11(2)17/h7-8,10-11H,6,9,17H2,1-5H3
InChIKeyKCFYANLERFHLCI-UHFFFAOYSA-N
MW313.28 g/mol
LogP3.96
Rot. Bonds5

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

2-(2-aminopropyl)-4-bromo-N-methyl-N-(2-methylbutan-2-yl)aniline (PubChem CID 114061965) has the molecular formula C15H25BrN2 and a molecular weight of 313.28 g/mol. Its IUPAC name is 2-(2-aminopropyl)-4-bromo-N-methyl-N-(2-methylbutan-2-yl)aniline.

Molecular Properties

Compound Name2-(2-aminopropyl)-4-bromo-N-methyl-N-(2-methylbutan-2-yl)aniline
PubChem CID114061965
Molecular FormulaC15H25BrN2
Molecular Weight313.28 g/mol
Exact Mass312.12
IUPAC Name2-(2-aminopropyl)-4-bromo-N-methyl-N-(2-methylbutan-2-yl)aniline
SMILESCCC(C)(C)N(C)c1ccc(Br)cc1CC(C)N
InChIInChI=1S/C15H25BrN2/c1-6-15(3,4)18(5)14-8-7-13(16)10-12(14)9-11(2)17/h7-8,10-11H,6,9,17H2,1-5H3
InChIKeyKCFYANLERFHLCI-UHFFFAOYSA-N
XLogP3.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminoethyl)-4-bromo-N-methyl-N-(2-methylbutan-2-yl)aniline
CID 82968527
4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(2-methylbutan-2-yl)aniline
CID 82968175
2-(2-aminopropyl)-5-bromo-N-ethyl-N-methylaniline
CID 63786948
1-(2,5-dibromophenyl)propan-2-amine
CID 84739331
1-(4-bromo-2-tert-butylsulfanylphenyl)propan-2-amine
CID 63835990
2-(2-aminopropyl)-5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
CID 63795586
4-[(1R)-1-aminoethyl]-2-chloro-N-methyl-N-(2-methylbutan-2-yl)aniline
CID 63982369
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128
2-(2-aminopropyl)-5-bromo-N-cyclopentyl-N-methylaniline
CID 63785627
2-(2-aminopropyl)-5-bromo-N-(cyclopropylmethyl)-N-methylaniline
CID 55235070
1-[5-bromo-2-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine
CID 64566147
2-[2-(2-aminopropyl)-4-bromophenoxy]-N-methyl-N-propan-2-ylacetamide
CID 60907716

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-4-bromo-N-methyl-N-(2-methylbutan-2-yl)aniline?
The IUPAC name of 2-(2-aminopropyl)-4-bromo-N-methyl-N-(2-methylbutan-2-yl)aniline (CID 114061965) is 2-(2-aminopropyl)-4-bromo-N-methyl-N-(2-methylbutan-2-yl)aniline.
What is the SMILES notation for 2-(2-aminopropyl)-4-bromo-N-methyl-N-(2-methylbutan-2-yl)aniline?
The canonical SMILES for 2-(2-aminopropyl)-4-bromo-N-methyl-N-(2-methylbutan-2-yl)aniline is CCC(C)(C)N(C)c1ccc(Br)cc1CC(C)N.
What is the InChIKey of 2-(2-aminopropyl)-4-bromo-N-methyl-N-(2-methylbutan-2-yl)aniline?
The InChIKey is KCFYANLERFHLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2/c1-6-15(3,4)18(5)14-8-7-13(16)10-12(14)9-11(2)17/h7-8,10-11H,6,9,17H2,1-5H3.
What are the key properties of 2-(2-aminopropyl)-4-bromo-N-methyl-N-(2-methylbutan-2-yl)aniline?
2-(2-aminopropyl)-4-bromo-N-methyl-N-(2-methylbutan-2-yl)aniline has a molecular weight of 313.28 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-4-bromo-N-methyl-N-(2-methylbutan-2-yl)aniline is sourced from PubChem (CID 114061965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).