2-(aminomethyl)-4-bromo-N-(2-methoxyethyl)aniline

C10H15BrN2O — CID 114889645

IUPAC2-(aminomethyl)-4-bromo-N-(2-methoxyethyl)aniline
SMILESCOCCNc1ccc(Br)cc1CN
InChIInChI=1S/C10H15BrN2O/c1-14-5-4-13-10-3-2-9(11)6-8(10)7-12/h2-3,6,13H,4-5,7,12H2,1H3
InChIKeyGANQZXXGRSUROS-UHFFFAOYSA-N
MW259.15 g/mol
LogP1.97
Rot. Bonds5

About 2-(aminomethyl)-4-bromo-N-(2-methoxyethyl)aniline

2-(aminomethyl)-4-bromo-N-(2-methoxyethyl)aniline (PubChem CID 114889645) has the molecular formula C10H15BrN2O and a molecular weight of 259.15 g/mol. Its IUPAC name is 2-(aminomethyl)-4-bromo-N-(2-methoxyethyl)aniline.

Molecular Properties

Compound Name2-(aminomethyl)-4-bromo-N-(2-methoxyethyl)aniline
PubChem CID114889645
Molecular FormulaC10H15BrN2O
Molecular Weight259.15 g/mol
Exact Mass258.04
IUPAC Name2-(aminomethyl)-4-bromo-N-(2-methoxyethyl)aniline
SMILESCOCCNc1ccc(Br)cc1CN
InChIInChI=1S/C10H15BrN2O/c1-14-5-4-13-10-3-2-9(11)6-8(10)7-12/h2-3,6,13H,4-5,7,12H2,1H3
InChIKeyGANQZXXGRSUROS-UHFFFAOYSA-N
XLogP1.97
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 51.97
H-Bond Donors ≤ 52
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-(2-methoxyethyl)-2-methylaniline
CID 43806040
2-(2-aminoethyl)-4-fluoro-N-(2-methoxyethyl)aniline
CID 95441473
4-bromo-2-N-(3-methoxypropyl)benzene-1,2-diamine
CID 65343412
4-bromo-2-N-(4-methoxybutyl)benzene-1,2-diamine
CID 65342774
5-bromo-N-[2-(3-methoxypropoxy)ethyl]-2-methylaniline
CID 103178607
(5-bromo-2-methylphenyl)methanamine;hydrochloride
CID 75481848
2-bromo-N-(2-methoxyethyl)-5-methylaniline
CID 82757107
4-bromo-N-butyl-2-ethylaniline
CID 81291753
2-(aminomethyl)-5-bromo-N,N-bis(2-methoxyethyl)aniline
CID 61418446
4-bromo-2-ethyl-N-(2-methylsulfonylethyl)aniline
CID 81292858
5-bromo-2-fluoro-N-[2-(3-methoxypropoxy)ethyl]aniline
CID 103178584
ethane;N-(2-methoxyethyl)-4-methyl-2-propylaniline
CID 153334759

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-bromo-N-(2-methoxyethyl)aniline?
The IUPAC name of 2-(aminomethyl)-4-bromo-N-(2-methoxyethyl)aniline (CID 114889645) is 2-(aminomethyl)-4-bromo-N-(2-methoxyethyl)aniline.
What is the SMILES notation for 2-(aminomethyl)-4-bromo-N-(2-methoxyethyl)aniline?
The canonical SMILES for 2-(aminomethyl)-4-bromo-N-(2-methoxyethyl)aniline is COCCNc1ccc(Br)cc1CN.
What is the InChIKey of 2-(aminomethyl)-4-bromo-N-(2-methoxyethyl)aniline?
The InChIKey is GANQZXXGRSUROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O/c1-14-5-4-13-10-3-2-9(11)6-8(10)7-12/h2-3,6,13H,4-5,7,12H2,1H3.
What are the key properties of 2-(aminomethyl)-4-bromo-N-(2-methoxyethyl)aniline?
2-(aminomethyl)-4-bromo-N-(2-methoxyethyl)aniline has a molecular weight of 259.15 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-bromo-N-(2-methoxyethyl)aniline is sourced from PubChem (CID 114889645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).