4-bromo-N-cyclobutyl-2-[(cyclopropylamino)methyl]-N-methylaniline

C15H21BrN2 — CID 114061823

IUPAC4-bromo-N-cyclobutyl-2-[(cyclopropylamino)methyl]-N-methylaniline
SMILESCN(c1ccc(Br)cc1CNC1CC1)C1CCC1
InChIInChI=1S/C15H21BrN2/c1-18(14-3-2-4-14)15-8-5-12(16)9-11(15)10-17-13-6-7-13/h5,8-9,13-14,17H,2-4,6-7,10H2,1H3
InChIKeyXTGBQIQOOKFVCG-UHFFFAOYSA-N
MW309.25 g/mol
LogP3.69
Rot. Bonds5

About 4-bromo-N-cyclobutyl-2-[(cyclopropylamino)methyl]-N-methylaniline

4-bromo-N-cyclobutyl-2-[(cyclopropylamino)methyl]-N-methylaniline (PubChem CID 114061823) has the molecular formula C15H21BrN2 and a molecular weight of 309.25 g/mol. Its IUPAC name is 4-bromo-N-cyclobutyl-2-[(cyclopropylamino)methyl]-N-methylaniline.

Molecular Properties

Compound Name4-bromo-N-cyclobutyl-2-[(cyclopropylamino)methyl]-N-methylaniline
PubChem CID114061823
Molecular FormulaC15H21BrN2
Molecular Weight309.25 g/mol
Exact Mass308.09
IUPAC Name4-bromo-N-cyclobutyl-2-[(cyclopropylamino)methyl]-N-methylaniline
SMILESCN(c1ccc(Br)cc1CNC1CC1)C1CCC1
InChIInChI=1S/C15H21BrN2/c1-18(14-3-2-4-14)15-8-5-12(16)9-11(15)10-17-13-6-7-13/h5,8-9,13-14,17H,2-4,6-7,10H2,1H3
InChIKeyXTGBQIQOOKFVCG-UHFFFAOYSA-N
XLogP3.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-(4-methylcyclohexyl)aniline
CID 63551172
4-bromo-2-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N-methylaniline
CID 114061767
N-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine
CID 43280907
5-bromo-N-cyclopentyl-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 62280389
N-[(2,5-dibromophenyl)methyl]cyclobutanamine
CID 130682714
2-chloro-N-cyclopentyl-4-[(cyclopropylamino)methyl]-N-methylaniline
CID 81149552
N-[(5-bromo-2-chlorophenyl)methyl]cyclobutanamine
CID 103793012
N-[(5-bromo-2-fluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091603
5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-propylaniline
CID 43281873
N-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-N-methylcycloheptanamine
CID 63552456
N-[(5-bromo-2-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65079881
5-bromo-N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 62279687

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclobutyl-2-[(cyclopropylamino)methyl]-N-methylaniline?
The IUPAC name of 4-bromo-N-cyclobutyl-2-[(cyclopropylamino)methyl]-N-methylaniline (CID 114061823) is 4-bromo-N-cyclobutyl-2-[(cyclopropylamino)methyl]-N-methylaniline.
What is the SMILES notation for 4-bromo-N-cyclobutyl-2-[(cyclopropylamino)methyl]-N-methylaniline?
The canonical SMILES for 4-bromo-N-cyclobutyl-2-[(cyclopropylamino)methyl]-N-methylaniline is CN(c1ccc(Br)cc1CNC1CC1)C1CCC1.
What is the InChIKey of 4-bromo-N-cyclobutyl-2-[(cyclopropylamino)methyl]-N-methylaniline?
The InChIKey is XTGBQIQOOKFVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2/c1-18(14-3-2-4-14)15-8-5-12(16)9-11(15)10-17-13-6-7-13/h5,8-9,13-14,17H,2-4,6-7,10H2,1H3.
What are the key properties of 4-bromo-N-cyclobutyl-2-[(cyclopropylamino)methyl]-N-methylaniline?
4-bromo-N-cyclobutyl-2-[(cyclopropylamino)methyl]-N-methylaniline has a molecular weight of 309.25 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cyclobutyl-2-[(cyclopropylamino)methyl]-N-methylaniline is sourced from PubChem (CID 114061823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).