[2-bromo-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine

C13H20BrNO2 — CID 114880008

IUPAC[2-bromo-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine
SMILESCC(C)(C)OCCOc1cccc(Br)c1CN
InChIInChI=1S/C13H20BrNO2/c1-13(2,3)17-8-7-16-12-6-4-5-11(14)10(12)9-15/h4-6H,7-9,15H2,1-3H3
InChIKeyGCOJAMAHHIWZCA-UHFFFAOYSA-N
MW302.21 g/mol
LogP3.10
Rot. Bonds5

About [2-bromo-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine

[2-bromo-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine (PubChem CID 114880008) has the molecular formula C13H20BrNO2 and a molecular weight of 302.21 g/mol. Its IUPAC name is [2-bromo-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[2-bromo-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine
PubChem CID114880008
Molecular FormulaC13H20BrNO2
Molecular Weight302.21 g/mol
Exact Mass301.07
IUPAC Name[2-bromo-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine
SMILESCC(C)(C)OCCOc1cccc(Br)c1CN
InChIInChI=1S/C13H20BrNO2/c1-13(2,3)17-8-7-16-12-6-4-5-11(14)10(12)9-15/h4-6H,7-9,15H2,1-3H3
InChIKeyGCOJAMAHHIWZCA-UHFFFAOYSA-N
XLogP3.10
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-bromo-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-bromo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine
CID 112588134
[2-bromo-6-(4-methylpentoxy)phenyl]methanamine
CID 114879902
[2-bromo-6-[2-(3-methoxypropoxy)ethoxy]phenyl]methanamine
CID 103176691
1,2-bis[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene
CID 169285678
[2-bromo-6-[3-(2-methoxyethoxy)propoxy]phenyl]methanamine
CID 103400825
2-bromo-N'-hydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenecarboximidamide
CID 114883559
2-amino-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenol
CID 114764274
[2-bromo-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methanamine
CID 114879953
2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]naphthalen-1-yl]ethanamine
CID 115943256
2-(aminomethyl)-3-bromo-N-tert-butylaniline
CID 114879629
4-bromo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]aniline
CID 112587064
(1S)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
CID 103939511

Frequently Asked Questions

What is the IUPAC name of [2-bromo-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine?
The IUPAC name of [2-bromo-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine (CID 114880008) is [2-bromo-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine.
What is the SMILES notation for [2-bromo-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine?
The canonical SMILES for [2-bromo-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine is CC(C)(C)OCCOc1cccc(Br)c1CN.
What is the InChIKey of [2-bromo-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine?
The InChIKey is GCOJAMAHHIWZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO2/c1-13(2,3)17-8-7-16-12-6-4-5-11(14)10(12)9-15/h4-6H,7-9,15H2,1-3H3.
What are the key properties of [2-bromo-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine?
[2-bromo-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine has a molecular weight of 302.21 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine is sourced from PubChem (CID 114880008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).