5-bromo-N-butyl-N-cyclopropyl-2-[(cyclopropylamino)methyl]aniline

C17H25BrN2 — CID 63550990

IUPAC5-bromo-N-butyl-N-cyclopropyl-2-[(cyclopropylamino)methyl]aniline
SMILESCCCCN(c1cc(Br)ccc1CNC1CC1)C1CC1
InChIInChI=1S/C17H25BrN2/c1-2-3-10-20(16-8-9-16)17-11-14(18)5-4-13(17)12-19-15-6-7-15/h4-5,11,15-16,19H,2-3,6-10,12H2,1H3
InChIKeyORDYJWLFEMFAHY-UHFFFAOYSA-N
MW337.31 g/mol
LogP4.47
Rot. Bonds8

About 5-bromo-N-butyl-N-cyclopropyl-2-[(cyclopropylamino)methyl]aniline

5-bromo-N-butyl-N-cyclopropyl-2-[(cyclopropylamino)methyl]aniline (PubChem CID 63550990) has the molecular formula C17H25BrN2 and a molecular weight of 337.31 g/mol. Its IUPAC name is 5-bromo-N-butyl-N-cyclopropyl-2-[(cyclopropylamino)methyl]aniline.

Molecular Properties

Compound Name5-bromo-N-butyl-N-cyclopropyl-2-[(cyclopropylamino)methyl]aniline
PubChem CID63550990
Molecular FormulaC17H25BrN2
Molecular Weight337.31 g/mol
Exact Mass336.12
IUPAC Name5-bromo-N-butyl-N-cyclopropyl-2-[(cyclopropylamino)methyl]aniline
SMILESCCCCN(c1cc(Br)ccc1CNC1CC1)C1CC1
InChIInChI=1S/C17H25BrN2/c1-2-3-10-20(16-8-9-16)17-11-14(18)5-4-13(17)12-19-15-6-7-15/h4-5,11,15-16,19H,2-3,6-10,12H2,1H3
InChIKeyORDYJWLFEMFAHY-UHFFFAOYSA-N
XLogP4.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-bromo-2-[butyl(cyclopropyl)amino]phenyl]methanol
CID 61445229
5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-propylaniline
CID 43281873
5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-(4-methylcyclohexyl)aniline
CID 63551172
5-bromo-2-(chloromethyl)-N-cyclopropyl-N-propylaniline
CID 43270621
3-[5-bromo-N-cyclobutyl-2-(propylaminomethyl)anilino]propan-1-ol
CID 102864710
5-bromo-2-[(cyclopropylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 63553253
2-[5-bromo-N-cyclopropyl-2-(methylaminomethyl)anilino]ethanol
CID 54994722
2-[5-bromo-2-[(cyclopropylamino)methyl]-N-methylanilino]ethanol
CID 54879396
5-bromo-2-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methoxyethyl)aniline
CID 61447057
2-[5-bromo-N-cyclobutyl-2-(ethylaminomethyl)anilino]ethanol
CID 102864917
N-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine
CID 43280907
5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-(4-methylpentan-2-yl)aniline
CID 63553054

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-butyl-N-cyclopropyl-2-[(cyclopropylamino)methyl]aniline?
The IUPAC name of 5-bromo-N-butyl-N-cyclopropyl-2-[(cyclopropylamino)methyl]aniline (CID 63550990) is 5-bromo-N-butyl-N-cyclopropyl-2-[(cyclopropylamino)methyl]aniline.
What is the SMILES notation for 5-bromo-N-butyl-N-cyclopropyl-2-[(cyclopropylamino)methyl]aniline?
The canonical SMILES for 5-bromo-N-butyl-N-cyclopropyl-2-[(cyclopropylamino)methyl]aniline is CCCCN(c1cc(Br)ccc1CNC1CC1)C1CC1.
What is the InChIKey of 5-bromo-N-butyl-N-cyclopropyl-2-[(cyclopropylamino)methyl]aniline?
The InChIKey is ORDYJWLFEMFAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2/c1-2-3-10-20(16-8-9-16)17-11-14(18)5-4-13(17)12-19-15-6-7-15/h4-5,11,15-16,19H,2-3,6-10,12H2,1H3.
What are the key properties of 5-bromo-N-butyl-N-cyclopropyl-2-[(cyclopropylamino)methyl]aniline?
5-bromo-N-butyl-N-cyclopropyl-2-[(cyclopropylamino)methyl]aniline has a molecular weight of 337.31 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-butyl-N-cyclopropyl-2-[(cyclopropylamino)methyl]aniline is sourced from PubChem (CID 63550990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).