1-[5-bromo-2-(methoxymethoxy)phenyl]ethanamine

C10H14BrNO2 — CID 65365311

IUPAC1-[5-bromo-2-(methoxymethoxy)phenyl]ethanamine
SMILESCOCOc1ccc(Br)cc1C(C)N
InChIInChI=1S/C10H14BrNO2/c1-7(12)9-5-8(11)3-4-10(9)14-6-13-2/h3-5,7H,6,12H2,1-2H3
InChIKeyRNZMBWVNPWNLMA-UHFFFAOYSA-N
MW260.13 g/mol
LogP2.45
Rot. Bonds4

About 1-[5-bromo-2-(methoxymethoxy)phenyl]ethanamine

1-[5-bromo-2-(methoxymethoxy)phenyl]ethanamine (PubChem CID 65365311) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is 1-[5-bromo-2-(methoxymethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-(methoxymethoxy)phenyl]ethanamine
PubChem CID65365311
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC Name1-[5-bromo-2-(methoxymethoxy)phenyl]ethanamine
SMILESCOCOc1ccc(Br)cc1C(C)N
InChIInChI=1S/C10H14BrNO2/c1-7(12)9-5-8(11)3-4-10(9)14-6-13-2/h3-5,7H,6,12H2,1-2H3
InChIKeyRNZMBWVNPWNLMA-UHFFFAOYSA-N
XLogP2.45
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[5-bromo-2-(3-methoxypropoxy)phenyl]ethanamine
CID 63367943
(1S)-1-[5-bromo-2-(methoxymethoxy)phenyl]ethanol
CID 79005339
1-[2-(methoxymethoxy)-5-methylphenyl]ethanamine
CID 65365858
(1R)-1-[5-bromo-2-(phenylmethoxymethoxy)phenyl]ethanamine
CID 102939496
(1R)-1-[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]ethanamine
CID 63367823
(1S)-1-[5-bromo-2-(2,4-dimethylpentoxy)phenyl]ethanamine
CID 114200049
(1S)-1-(5-bromo-2-hexoxyphenyl)ethanamine
CID 78937285
(1S)-1-(5-bromo-2-phenylmethoxyphenyl)ethanamine
CID 78937030
(1R)-1-(5-bromo-2-hexoxyphenyl)ethanamine
CID 55220592
(1S)-1-[5-bromo-2-(2-methylsulfanylethoxy)phenyl]ethanamine
CID 104863285
(1S)-1-(5-bromo-2-propan-2-yloxyphenyl)ethanamine
CID 78936916
1-[5-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 63499604

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(methoxymethoxy)phenyl]ethanamine?
The IUPAC name of 1-[5-bromo-2-(methoxymethoxy)phenyl]ethanamine (CID 65365311) is 1-[5-bromo-2-(methoxymethoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[5-bromo-2-(methoxymethoxy)phenyl]ethanamine?
The canonical SMILES for 1-[5-bromo-2-(methoxymethoxy)phenyl]ethanamine is COCOc1ccc(Br)cc1C(C)N.
What is the InChIKey of 1-[5-bromo-2-(methoxymethoxy)phenyl]ethanamine?
The InChIKey is RNZMBWVNPWNLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2/c1-7(12)9-5-8(11)3-4-10(9)14-6-13-2/h3-5,7H,6,12H2,1-2H3.
What are the key properties of 1-[5-bromo-2-(methoxymethoxy)phenyl]ethanamine?
1-[5-bromo-2-(methoxymethoxy)phenyl]ethanamine has a molecular weight of 260.13 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(methoxymethoxy)phenyl]ethanamine is sourced from PubChem (CID 65365311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).