N-(2-bromoethyl)-2-(4-methoxyphenyl)ethanamine

C11H16BrNO — CID 114505272

IUPACN-(2-bromoethyl)-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CCNCCBr)cc1
InChIInChI=1S/C11H16BrNO/c1-14-11-4-2-10(3-5-11)6-8-13-9-7-12/h2-5,13H,6-9H2,1H3
InChIKeyLXGBLOMFXPMHLN-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.22
Rot. Bonds6

About N-(2-bromoethyl)-2-(4-methoxyphenyl)ethanamine

N-(2-bromoethyl)-2-(4-methoxyphenyl)ethanamine (PubChem CID 114505272) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is N-(2-bromoethyl)-2-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-(2-bromoethyl)-2-(4-methoxyphenyl)ethanamine
PubChem CID114505272
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC NameN-(2-bromoethyl)-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CCNCCBr)cc1
InChIInChI=1S/C11H16BrNO/c1-14-11-4-2-10(3-5-11)6-8-13-9-7-12/h2-5,13H,6-9H2,1H3
InChIKeyLXGBLOMFXPMHLN-UHFFFAOYSA-N
XLogP2.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-methoxyphenyl)ethyl]-N-[2-(4-methylphenyl)ethyl]ethane-1,2-diamine
CID 23394676
N'-[2-(4-methoxyphenyl)ethyl]methanediamine
CID 115226003
2-[2-(4-methoxyphenyl)ethylamino]acetonitrile
CID 28574147
N-[2-(4-methoxyphenyl)ethyl]heptan-1-amine
CID 43089137
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]butan-1-amine
CID 65447103
N-(2-ethoxyethyl)-2-(4-methoxyphenyl)ethanamine
CID 43387940
4-chloro-N-[2-(4-methoxyphenyl)ethyl]butan-1-amine
CID 106844226
3-[2-(4-methoxyphenyl)ethylamino]propanenitrile
CID 43082695
N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)ethanamine
CID 16753278
N-[2-(2-chloroethoxy)ethyl]-2-(4-methoxyphenyl)ethanamine
CID 65446138
N-[[4-(chloromethyl)phenyl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 107232979
2-[2-(4-methoxyphenyl)ethylamino]ethyl carbamate
CID 83210163

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-2-(4-methoxyphenyl)ethanamine?
The IUPAC name of N-(2-bromoethyl)-2-(4-methoxyphenyl)ethanamine (CID 114505272) is N-(2-bromoethyl)-2-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for N-(2-bromoethyl)-2-(4-methoxyphenyl)ethanamine?
The canonical SMILES for N-(2-bromoethyl)-2-(4-methoxyphenyl)ethanamine is COc1ccc(CCNCCBr)cc1.
What is the InChIKey of N-(2-bromoethyl)-2-(4-methoxyphenyl)ethanamine?
The InChIKey is LXGBLOMFXPMHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-14-11-4-2-10(3-5-11)6-8-13-9-7-12/h2-5,13H,6-9H2,1H3.
What are the key properties of N-(2-bromoethyl)-2-(4-methoxyphenyl)ethanamine?
N-(2-bromoethyl)-2-(4-methoxyphenyl)ethanamine has a molecular weight of 258.16 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-2-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 114505272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).