N-[2-[(4-bromophenyl)methoxy]ethyl]-N',N'-dimethylethane-1,2-diamine

C13H21BrN2O — CID 82825733

IUPACN-[2-[(4-bromophenyl)methoxy]ethyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNCCOCc1ccc(Br)cc1
InChIInChI=1S/C13H21BrN2O/c1-16(2)9-7-15-8-10-17-11-12-3-5-13(14)6-4-12/h3-6,15H,7-11H2,1-2H3
InChIKeyHPIXJDCVMRWMNQ-UHFFFAOYSA-N
MW301.23 g/mol
LogP2.12
Rot. Bonds8

About N-[2-[(4-bromophenyl)methoxy]ethyl]-N',N'-dimethylethane-1,2-diamine

N-[2-[(4-bromophenyl)methoxy]ethyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 82825733) has the molecular formula C13H21BrN2O and a molecular weight of 301.23 g/mol. Its IUPAC name is N-[2-[(4-bromophenyl)methoxy]ethyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-[(4-bromophenyl)methoxy]ethyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID82825733
Molecular FormulaC13H21BrN2O
Molecular Weight301.23 g/mol
Exact Mass300.08
IUPAC NameN-[2-[(4-bromophenyl)methoxy]ethyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNCCOCc1ccc(Br)cc1
InChIInChI=1S/C13H21BrN2O/c1-16(2)9-7-15-8-10-17-11-12-3-5-13(14)6-4-12/h3-6,15H,7-11H2,1-2H3
InChIKeyHPIXJDCVMRWMNQ-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 52.12
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

2-[(4-bromophenyl)methoxy]-N-ethylethanamine
CID 62337818
N-[2-[(4-bromophenyl)methyl-methylamino]ethyl]-N',N'-dimethylethane-1,2-diamine
CID 62556390
N-[2-[(4-bromophenyl)methoxy]ethyl]-2-thiophen-3-ylethanamine
CID 82825014
N',N'-dimethyl-N-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethyl]ethane-1,2-diamine
CID 2966257
N-[2-[4-[2-(dimethylamino)ethoxymethyl]phenyl]ethyl]propan-1-amine
CID 105350646
3-[(4-bromophenyl)methoxy]-N-methylpropan-1-amine
CID 82831550
1-bromo-4-[3-[(4-bromophenyl)methoxy]propoxymethyl]benzene
CID 101050292
N-[2-[(4-bromophenyl)methoxy]ethyl]butan-2-amine
CID 82825017
N-[2-[(4-ethylphenyl)methoxy]ethyl]propan-1-amine
CID 62336871
N-[2-[(4-bromophenyl)methoxy]ethyl]-1-methoxypropan-2-amine
CID 82825096
1-bromo-4-(3,3-dimethylbutoxymethyl)benzene
CID 66225376
N-[2-[4-[2-(dimethylamino)ethoxymethyl]phenyl]ethyl]-2-methylpropan-1-amine
CID 105350635

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-bromophenyl)methoxy]ethyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[2-[(4-bromophenyl)methoxy]ethyl]-N',N'-dimethylethane-1,2-diamine (CID 82825733) is N-[2-[(4-bromophenyl)methoxy]ethyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[2-[(4-bromophenyl)methoxy]ethyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[2-[(4-bromophenyl)methoxy]ethyl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNCCOCc1ccc(Br)cc1.
What is the InChIKey of N-[2-[(4-bromophenyl)methoxy]ethyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is HPIXJDCVMRWMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O/c1-16(2)9-7-15-8-10-17-11-12-3-5-13(14)6-4-12/h3-6,15H,7-11H2,1-2H3.
What are the key properties of N-[2-[(4-bromophenyl)methoxy]ethyl]-N',N'-dimethylethane-1,2-diamine?
N-[2-[(4-bromophenyl)methoxy]ethyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 301.23 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-bromophenyl)methoxy]ethyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 82825733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).