5-bromo-N-cyclopropyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline

C17H27BrN2 — CID 63553418

IUPAC5-bromo-N-cyclopropyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline
SMILESCCCNCc1ccc(Br)cc1N(CC(C)C)C1CC1
InChIInChI=1S/C17H27BrN2/c1-4-9-19-11-14-5-6-15(18)10-17(14)20(12-13(2)3)16-7-8-16/h5-6,10,13,16,19H,4,7-9,11-12H2,1-3H3
InChIKeyAKSGMRIPMCWDAG-UHFFFAOYSA-N
MW339.32 g/mol
LogP4.57
Rot. Bonds8

About 5-bromo-N-cyclopropyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline

5-bromo-N-cyclopropyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline (PubChem CID 63553418) has the molecular formula C17H27BrN2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 5-bromo-N-cyclopropyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline.

Molecular Properties

Compound Name5-bromo-N-cyclopropyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline
PubChem CID63553418
Molecular FormulaC17H27BrN2
Molecular Weight339.32 g/mol
Exact Mass338.14
IUPAC Name5-bromo-N-cyclopropyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline
SMILESCCCNCc1ccc(Br)cc1N(CC(C)C)C1CC1
InChIInChI=1S/C17H27BrN2/c1-4-9-19-11-14-5-6-15(18)10-17(14)20(12-13(2)3)16-7-8-16/h5-6,10,13,16,19H,4,7-9,11-12H2,1-3H3
InChIKeyAKSGMRIPMCWDAG-UHFFFAOYSA-N
XLogP4.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-cyclopropyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline
CID 114849898
2-(aminomethyl)-5-bromo-N-cyclopropyl-N-(2-methylpropyl)aniline
CID 55001986
4-chloro-N-cyclopropyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline
CID 114849913
3-[5-bromo-N-cyclobutyl-2-(propylaminomethyl)anilino]propan-1-ol
CID 102864710
2-[5-bromo-N-cyclobutyl-2-(ethylaminomethyl)anilino]ethanol
CID 102864917
2-[5-bromo-N-methyl-2-(propylaminomethyl)anilino]propan-1-ol
CID 104552856
5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[(2-methoxyethylamino)methyl]aniline
CID 64521005
5-bromo-N-methyl-N-pentan-3-yl-2-(propylaminomethyl)aniline
CID 43571422
5-bromo-2-(chloromethyl)-N-cyclopropyl-N-propylaniline
CID 43270621
2-[5-bromo-N-cyclopropyl-2-(methylaminomethyl)anilino]ethanol
CID 54994722
2-(2-aminopropyl)-5-bromo-N-cyclopropyl-N-propylaniline
CID 63784972
5-bromo-N-butyl-N-cyclopropyl-2-[(cyclopropylamino)methyl]aniline
CID 63550990

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopropyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline?
The IUPAC name of 5-bromo-N-cyclopropyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline (CID 63553418) is 5-bromo-N-cyclopropyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline.
What is the SMILES notation for 5-bromo-N-cyclopropyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline?
The canonical SMILES for 5-bromo-N-cyclopropyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline is CCCNCc1ccc(Br)cc1N(CC(C)C)C1CC1.
What is the InChIKey of 5-bromo-N-cyclopropyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline?
The InChIKey is AKSGMRIPMCWDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2/c1-4-9-19-11-14-5-6-15(18)10-17(14)20(12-13(2)3)16-7-8-16/h5-6,10,13,16,19H,4,7-9,11-12H2,1-3H3.
What are the key properties of 5-bromo-N-cyclopropyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline?
5-bromo-N-cyclopropyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline has a molecular weight of 339.32 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopropyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline is sourced from PubChem (CID 63553418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).