2-bromo-4-[(2-methoxyethylamino)methyl]-N-methyl-N-propylaniline

C14H23BrN2O — CID 114062703

IUPAC2-bromo-4-[(2-methoxyethylamino)methyl]-N-methyl-N-propylaniline
SMILESCCCN(C)c1ccc(CNCCOC)cc1Br
InChIInChI=1S/C14H23BrN2O/c1-4-8-17(2)14-6-5-12(10-13(14)15)11-16-7-9-18-3/h5-6,10,16H,4,7-9,11H2,1-3H3
InChIKeyRPAMIHLQHMWGRD-UHFFFAOYSA-N
MW315.26 g/mol
LogP3.03
Rot. Bonds8

About 2-bromo-4-[(2-methoxyethylamino)methyl]-N-methyl-N-propylaniline

2-bromo-4-[(2-methoxyethylamino)methyl]-N-methyl-N-propylaniline (PubChem CID 114062703) has the molecular formula C14H23BrN2O and a molecular weight of 315.26 g/mol. Its IUPAC name is 2-bromo-4-[(2-methoxyethylamino)methyl]-N-methyl-N-propylaniline.

Molecular Properties

Compound Name2-bromo-4-[(2-methoxyethylamino)methyl]-N-methyl-N-propylaniline
PubChem CID114062703
Molecular FormulaC14H23BrN2O
Molecular Weight315.26 g/mol
Exact Mass314.10
IUPAC Name2-bromo-4-[(2-methoxyethylamino)methyl]-N-methyl-N-propylaniline
SMILESCCCN(C)c1ccc(CNCCOC)cc1Br
InChIInChI=1S/C14H23BrN2O/c1-4-8-17(2)14-6-5-12(10-13(14)15)11-16-7-9-18-3/h5-6,10,16H,4,7-9,11H2,1-3H3
InChIKeyRPAMIHLQHMWGRD-UHFFFAOYSA-N
XLogP3.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-4-[(2-methoxyethylamino)methyl]-N,2-dimethylaniline
CID 63060791
N-(2-ethoxyethyl)-4-[(2-methoxyethylamino)methyl]-N,2-dimethylaniline
CID 81056925
N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63060724
2-[4-[(2-methoxyethylamino)methyl]-N,2-dimethylanilino]ethanol
CID 63058822
N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methyl-N-propylaniline
CID 63060006
N-[(3-bromo-4-hexoxyphenyl)methyl]-2-methoxyethanamine
CID 63501576
N-[[3-bromo-4-(2-methoxyethoxy)phenyl]methyl]-2-methoxyethanamine
CID 63062511
N'-[(3-bromo-4-chlorophenyl)methyl]-N-(2-methoxyethyl)ethane-1,2-diamine
CID 107998990
2-chloro-4-[(2-methoxyethylamino)methyl]-N-methyl-N-(3,3,3-trifluoropropyl)aniline
CID 81144537
N-[(4-bromo-3-chlorophenyl)methyl]-2-methoxyethanamine
CID 81294847
4-[2-bromo-4-(ethylaminomethyl)-N-methylanilino]butan-2-ol
CID 114062857
3-[4-[(2-methoxyethylamino)methyl]-N,2-dimethylanilino]-N-methylpropanamide
CID 106916671

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(2-methoxyethylamino)methyl]-N-methyl-N-propylaniline?
The IUPAC name of 2-bromo-4-[(2-methoxyethylamino)methyl]-N-methyl-N-propylaniline (CID 114062703) is 2-bromo-4-[(2-methoxyethylamino)methyl]-N-methyl-N-propylaniline.
What is the SMILES notation for 2-bromo-4-[(2-methoxyethylamino)methyl]-N-methyl-N-propylaniline?
The canonical SMILES for 2-bromo-4-[(2-methoxyethylamino)methyl]-N-methyl-N-propylaniline is CCCN(C)c1ccc(CNCCOC)cc1Br.
What is the InChIKey of 2-bromo-4-[(2-methoxyethylamino)methyl]-N-methyl-N-propylaniline?
The InChIKey is RPAMIHLQHMWGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O/c1-4-8-17(2)14-6-5-12(10-13(14)15)11-16-7-9-18-3/h5-6,10,16H,4,7-9,11H2,1-3H3.
What are the key properties of 2-bromo-4-[(2-methoxyethylamino)methyl]-N-methyl-N-propylaniline?
2-bromo-4-[(2-methoxyethylamino)methyl]-N-methyl-N-propylaniline has a molecular weight of 315.26 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(2-methoxyethylamino)methyl]-N-methyl-N-propylaniline is sourced from PubChem (CID 114062703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).