[2-bromo-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine

C14H22BrNO4 — CID 107275281

IUPAC[2-bromo-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
SMILESCOCCOCCOCCOc1ccc(CN)c(Br)c1
InChIInChI=1S/C14H22BrNO4/c1-17-4-5-18-6-7-19-8-9-20-13-3-2-12(11-16)14(15)10-13/h2-3,10H,4-9,11,16H2,1H3
InChIKeyKKALGHXMDYITPA-UHFFFAOYSA-N
MW348.24 g/mol
LogP1.97
Rot. Bonds11

About [2-bromo-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine

[2-bromo-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine (PubChem CID 107275281) has the molecular formula C14H22BrNO4 and a molecular weight of 348.24 g/mol. Its IUPAC name is [2-bromo-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[2-bromo-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
PubChem CID107275281
Molecular FormulaC14H22BrNO4
Molecular Weight348.24 g/mol
Exact Mass347.07
IUPAC Name[2-bromo-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
SMILESCOCCOCCOCCOc1ccc(CN)c(Br)c1
InChIInChI=1S/C14H22BrNO4/c1-17-4-5-18-6-7-19-8-9-20-13-3-2-12(11-16)14(15)10-13/h2-3,10H,4-9,11,16H2,1H3
InChIKeyKKALGHXMDYITPA-UHFFFAOYSA-N
XLogP1.97
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-[2-(2-methoxyethoxy)ethoxy]-2-(trifluoromethyl)phenyl]methanamine
CID 104559827
1-bromo-2-(bromomethyl)-4-[2-(3-methoxypropoxy)ethoxy]benzene
CID 103180775
[5-[3-(2-methoxyethoxy)propoxy]-2-(trifluoromethyl)phenyl]methanamine
CID 103400813
1-bromo-3-[2-(2-methoxyethoxy)ethoxy]benzene;ethane
CID 144931224
[4-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 104559812
[4-(2-methoxyethoxymethoxy)-2-(trifluoromethyl)phenyl]methanamine
CID 129320520
2-bromo-1-(difluoromethyl)-4-(2-methoxyethoxy)benzene
CID 154815121
1-bromo-4-(2-methoxyethoxy)-2-(3-methoxypropyl)benzene
CID 58083361
2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanamine
CID 152682360
[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 104559788
1-bromo-3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]benzene
CID 103404159
1,4-dibromo-2,5-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]benzene
CID 134128519

Frequently Asked Questions

What is the IUPAC name of [2-bromo-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine?
The IUPAC name of [2-bromo-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine (CID 107275281) is [2-bromo-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine.
What is the SMILES notation for [2-bromo-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine?
The canonical SMILES for [2-bromo-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine is COCCOCCOCCOc1ccc(CN)c(Br)c1.
What is the InChIKey of [2-bromo-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine?
The InChIKey is KKALGHXMDYITPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO4/c1-17-4-5-18-6-7-19-8-9-20-13-3-2-12(11-16)14(15)10-13/h2-3,10H,4-9,11,16H2,1H3.
What are the key properties of [2-bromo-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine?
[2-bromo-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine has a molecular weight of 348.24 g/mol, XLogP of 1.97, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine is sourced from PubChem (CID 107275281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).