N-[2-[(5-bromo-2-methoxyphenyl)methoxy]ethyl]propan-2-amine

C13H20BrNO2 — CID 62342039

IUPACN-[2-[(5-bromo-2-methoxyphenyl)methoxy]ethyl]propan-2-amine
SMILESCOc1ccc(Br)cc1COCCNC(C)C
InChIInChI=1S/C13H20BrNO2/c1-10(2)15-6-7-17-9-11-8-12(14)4-5-13(11)16-3/h4-5,8,10,15H,6-7,9H2,1-3H3
InChIKeyVEJOIPZNCXDFGN-UHFFFAOYSA-N
MW302.21 g/mol
LogP2.97
Rot. Bonds7

About N-[2-[(5-bromo-2-methoxyphenyl)methoxy]ethyl]propan-2-amine

N-[2-[(5-bromo-2-methoxyphenyl)methoxy]ethyl]propan-2-amine (PubChem CID 62342039) has the molecular formula C13H20BrNO2 and a molecular weight of 302.21 g/mol. Its IUPAC name is N-[2-[(5-bromo-2-methoxyphenyl)methoxy]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[(5-bromo-2-methoxyphenyl)methoxy]ethyl]propan-2-amine
PubChem CID62342039
Molecular FormulaC13H20BrNO2
Molecular Weight302.21 g/mol
Exact Mass301.07
IUPAC NameN-[2-[(5-bromo-2-methoxyphenyl)methoxy]ethyl]propan-2-amine
SMILESCOc1ccc(Br)cc1COCCNC(C)C
InChIInChI=1S/C13H20BrNO2/c1-10(2)15-6-7-17-9-11-8-12(14)4-5-13(11)16-3/h4-5,8,10,15H,6-7,9H2,1-3H3
InChIKeyVEJOIPZNCXDFGN-UHFFFAOYSA-N
XLogP2.97
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 52.97
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-[(5-bromo-2-methoxyphenyl)methoxy]ethanol
CID 162503231
3-[(5-chloro-2-methoxyphenyl)methoxy]-N-propan-2-ylpropan-1-amine
CID 55065296
3-(5-bromo-2-methoxyphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62530686
4-bromo-1-methoxy-2-[(3-methoxy-3-methylbutoxy)methyl]benzene
CID 106666445
4-bromo-2-(2,2-difluoroethoxymethyl)-1-methoxybenzene
CID 82006552
4-bromo-2-(2-cyclopropylethoxymethyl)-1-methoxybenzene
CID 106203721
4-bromo-1-methoxy-2-(pent-4-enoxymethyl)benzene
CID 79112669
N-[2-(2,4-dibromophenoxy)ethyl]propan-2-amine
CID 62597711
N-[2-[(5-fluoro-2-methylphenyl)methoxy]ethyl]propan-2-amine
CID 105372265
N-[(5-bromo-2-methoxyphenyl)methyl]-4-methylpentan-2-amine
CID 43371768
4-bromo-1-methoxy-2-(1,1,1-trifluoropropan-2-yloxymethyl)benzene
CID 66276996
2-[(5-bromo-2-methoxyphenyl)methylamino]propan-1-ol
CID 43499460

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-bromo-2-methoxyphenyl)methoxy]ethyl]propan-2-amine?
The IUPAC name of N-[2-[(5-bromo-2-methoxyphenyl)methoxy]ethyl]propan-2-amine (CID 62342039) is N-[2-[(5-bromo-2-methoxyphenyl)methoxy]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[(5-bromo-2-methoxyphenyl)methoxy]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[(5-bromo-2-methoxyphenyl)methoxy]ethyl]propan-2-amine is COc1ccc(Br)cc1COCCNC(C)C.
What is the InChIKey of N-[2-[(5-bromo-2-methoxyphenyl)methoxy]ethyl]propan-2-amine?
The InChIKey is VEJOIPZNCXDFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO2/c1-10(2)15-6-7-17-9-11-8-12(14)4-5-13(11)16-3/h4-5,8,10,15H,6-7,9H2,1-3H3.
What are the key properties of N-[2-[(5-bromo-2-methoxyphenyl)methoxy]ethyl]propan-2-amine?
N-[2-[(5-bromo-2-methoxyphenyl)methoxy]ethyl]propan-2-amine has a molecular weight of 302.21 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-bromo-2-methoxyphenyl)methoxy]ethyl]propan-2-amine is sourced from PubChem (CID 62342039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).