5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[(2-methoxyethylamino)methyl]aniline

C17H25BrN2O — CID 64521005

IUPAC5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[(2-methoxyethylamino)methyl]aniline
SMILESCOCCNCc1ccc(Br)cc1N(CC1CC1)C1CC1
InChIInChI=1S/C17H25BrN2O/c1-21-9-8-19-11-14-4-5-15(18)10-17(14)20(16-6-7-16)12-13-2-3-13/h4-5,10,13,16,19H,2-3,6-9,11-12H2,1H3
InChIKeyABVRIABVGUGNGE-UHFFFAOYSA-N
MW353.30 g/mol
LogP3.56
Rot. Bonds9

About 5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[(2-methoxyethylamino)methyl]aniline

5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[(2-methoxyethylamino)methyl]aniline (PubChem CID 64521005) has the molecular formula C17H25BrN2O and a molecular weight of 353.30 g/mol. Its IUPAC name is 5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[(2-methoxyethylamino)methyl]aniline.

Molecular Properties

Compound Name5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[(2-methoxyethylamino)methyl]aniline
PubChem CID64521005
Molecular FormulaC17H25BrN2O
Molecular Weight353.30 g/mol
Exact Mass352.12
IUPAC Name5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[(2-methoxyethylamino)methyl]aniline
SMILESCOCCNCc1ccc(Br)cc1N(CC1CC1)C1CC1
InChIInChI=1S/C17H25BrN2O/c1-21-9-8-19-11-14-4-5-15(18)10-17(14)20(16-6-7-16)12-13-2-3-13/h4-5,10,13,16,19H,2-3,6-9,11-12H2,1H3
InChIKeyABVRIABVGUGNGE-UHFFFAOYSA-N
XLogP3.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-cyclopropyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline
CID 63553418
5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[1-(methylamino)ethyl]aniline
CID 82968388
N'-[(2,4-dibromophenyl)methyl]-N-(2-methoxyethyl)ethane-1,2-diamine
CID 107938729
2-[5-bromo-N-cyclobutyl-2-(ethylaminomethyl)anilino]ethanol
CID 102864917
5-chloro-N-cyclopropyl-2-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 114847908
2-[5-bromo-N-cyclopropyl-2-(methylaminomethyl)anilino]ethanol
CID 54994722
5-bromo-N-(cyclopropylmethyl)-N-ethyl-2-(ethylaminomethyl)aniline
CID 63956035
N-cyclopropyl-N-(cyclopropylmethyl)-2-methyl-5-(propylaminomethyl)pyridin-4-amine
CID 81248139
N-(cyclopropylmethyl)-4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63059181
N-cyclopropyl-N-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-4-methyl-1,3-thiazol-2-amine
CID 64519919
3-[5-bromo-N-cyclobutyl-2-(propylaminomethyl)anilino]propan-1-ol
CID 102864710
N-cyclohexyl-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline
CID 63059978

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[(2-methoxyethylamino)methyl]aniline?
The IUPAC name of 5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[(2-methoxyethylamino)methyl]aniline (CID 64521005) is 5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[(2-methoxyethylamino)methyl]aniline.
What is the SMILES notation for 5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[(2-methoxyethylamino)methyl]aniline?
The canonical SMILES for 5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[(2-methoxyethylamino)methyl]aniline is COCCNCc1ccc(Br)cc1N(CC1CC1)C1CC1.
What is the InChIKey of 5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[(2-methoxyethylamino)methyl]aniline?
The InChIKey is ABVRIABVGUGNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O/c1-21-9-8-19-11-14-4-5-15(18)10-17(14)20(16-6-7-16)12-13-2-3-13/h4-5,10,13,16,19H,2-3,6-9,11-12H2,1H3.
What are the key properties of 5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[(2-methoxyethylamino)methyl]aniline?
5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[(2-methoxyethylamino)methyl]aniline has a molecular weight of 353.30 g/mol, XLogP of 3.56, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[(2-methoxyethylamino)methyl]aniline is sourced from PubChem (CID 64521005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).