2-(2-aminobutyl)-5-bromo-N-cyclopropyl-N-methylaniline

C14H21BrN2 — CID 55235438

IUPAC2-(2-aminobutyl)-5-bromo-N-cyclopropyl-N-methylaniline
SMILESCCC(N)Cc1ccc(Br)cc1N(C)C1CC1
InChIInChI=1S/C14H21BrN2/c1-3-12(16)8-10-4-5-11(15)9-14(10)17(2)13-6-7-13/h4-5,9,12-13H,3,6-8,16H2,1-2H3
InChIKeySUTJDVKIXYLYTN-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.33
Rot. Bonds5

About 2-(2-aminobutyl)-5-bromo-N-cyclopropyl-N-methylaniline

2-(2-aminobutyl)-5-bromo-N-cyclopropyl-N-methylaniline (PubChem CID 55235438) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 2-(2-aminobutyl)-5-bromo-N-cyclopropyl-N-methylaniline.

Molecular Properties

Compound Name2-(2-aminobutyl)-5-bromo-N-cyclopropyl-N-methylaniline
PubChem CID55235438
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name2-(2-aminobutyl)-5-bromo-N-cyclopropyl-N-methylaniline
SMILESCCC(N)Cc1ccc(Br)cc1N(C)C1CC1
InChIInChI=1S/C14H21BrN2/c1-3-12(16)8-10-4-5-11(15)9-14(10)17(2)13-6-7-13/h4-5,9,12-13H,3,6-8,16H2,1-2H3
InChIKeySUTJDVKIXYLYTN-UHFFFAOYSA-N
XLogP3.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminopropyl)-5-bromo-N-cyclopentyl-N-methylaniline
CID 63785627
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2-(2-aminobutyl)-5-bromo-N-(4-fluorophenyl)-N-methylaniline
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N-[2-(2-aminobutyl)-5-chlorophenyl]-N-methylcycloheptanamine
CID 114860719
4-bromo-2-N-cyclopropyl-2-N-methylbenzene-1,2-diamine
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2-(2-aminobutyl)-5-bromo-N-methyl-N-(2-methylbutyl)aniline
CID 55235251
5-bromo-2-(bromomethyl)-N-(4-ethylcyclohexyl)-N-methylaniline
CID 107081552
N'-[2-(2-aminobutyl)-5-bromophenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63793805
2-(2-aminobutyl)-5-bromo-N-(2-ethoxyethyl)-N-methylaniline
CID 81067248
2-(2-aminobutyl)-5-bromo-N,N-bis(2-methoxyethyl)aniline
CID 63817422
2-(2-aminobutyl)-5-bromo-N-methyl-N-(2-methylsulfonylethyl)aniline
CID 79859437
2-(2-aminopropyl)-5-bromo-N-cyclopropyl-N-propylaniline
CID 63784972

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutyl)-5-bromo-N-cyclopropyl-N-methylaniline?
The IUPAC name of 2-(2-aminobutyl)-5-bromo-N-cyclopropyl-N-methylaniline (CID 55235438) is 2-(2-aminobutyl)-5-bromo-N-cyclopropyl-N-methylaniline.
What is the SMILES notation for 2-(2-aminobutyl)-5-bromo-N-cyclopropyl-N-methylaniline?
The canonical SMILES for 2-(2-aminobutyl)-5-bromo-N-cyclopropyl-N-methylaniline is CCC(N)Cc1ccc(Br)cc1N(C)C1CC1.
What is the InChIKey of 2-(2-aminobutyl)-5-bromo-N-cyclopropyl-N-methylaniline?
The InChIKey is SUTJDVKIXYLYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-3-12(16)8-10-4-5-11(15)9-14(10)17(2)13-6-7-13/h4-5,9,12-13H,3,6-8,16H2,1-2H3.
What are the key properties of 2-(2-aminobutyl)-5-bromo-N-cyclopropyl-N-methylaniline?
2-(2-aminobutyl)-5-bromo-N-cyclopropyl-N-methylaniline has a molecular weight of 297.24 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutyl)-5-bromo-N-cyclopropyl-N-methylaniline is sourced from PubChem (CID 55235438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).