(1R)-1-[4-bromo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine

C14H22BrNO2 — CID 102946902

IUPAC(1R)-1-[4-bromo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(Br)cc1OCCOC(C)(C)C
InChIInChI=1S/C14H22BrNO2/c1-10(16)12-6-5-11(15)9-13(12)17-7-8-18-14(2,3)4/h5-6,9-10H,7-8,16H2,1-4H3/t10-/m1/s1
InChIKeyHDXCPHNFCWRMJS-SNVBAGLBSA-N
MW316.24 g/mol
LogP3.66
Rot. Bonds5

About (1R)-1-[4-bromo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine

(1R)-1-[4-bromo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine (PubChem CID 102946902) has the molecular formula C14H22BrNO2 and a molecular weight of 316.24 g/mol. Its IUPAC name is (1R)-1-[4-bromo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-bromo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
PubChem CID102946902
Molecular FormulaC14H22BrNO2
Molecular Weight316.24 g/mol
Exact Mass315.08
IUPAC Name(1R)-1-[4-bromo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(Br)cc1OCCOC(C)(C)C
InChIInChI=1S/C14H22BrNO2/c1-10(16)12-6-5-11(15)9-13(12)17-7-8-18-14(2,3)4/h5-6,9-10H,7-8,16H2,1-4H3/t10-/m1/s1
InChIKeyHDXCPHNFCWRMJS-SNVBAGLBSA-N
XLogP3.66
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R)-1-[4-bromo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine 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

1-[4-bromo-2-(2-fluoroethoxy)phenyl]ethanamine
CID 102946431
(1S)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
CID 103939511
4-bromo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]aniline
CID 112587064
(1R)-1-[4-bromo-2-(2-tert-butylsulfonylethoxy)phenyl]ethanamine
CID 106722564
4-[2-[(1S)-1-aminoethyl]-5-bromophenoxy]butan-2-ol
CID 102947266
1-[4-bromo-2-(2-methylsulfanylethoxy)phenyl]ethanamine
CID 102946275
(1R)-1-(4-bromo-2-heptoxyphenyl)ethanamine
CID 102946514
1-[4-bromo-2-(2-cyclobutylethoxy)phenyl]ethanamine
CID 114157575
(1R)-1-[4-bromo-2-(2,2,2-trifluoroethoxy)phenyl]ethanamine
CID 102946643
(1R)-1-[4-bromo-2-(3-phenoxypropoxy)phenyl]ethanamine
CID 102946886
(1S)-1-[4-bromo-2-(3-methylbut-3-enoxy)phenyl]ethanamine
CID 102947179
1-(4-bromo-2-prop-2-enoxyphenyl)ethanamine
CID 102946292

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-bromo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[4-bromo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine (CID 102946902) is (1R)-1-[4-bromo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-bromo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-bromo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine is C[C@@H](N)c1ccc(Br)cc1OCCOC(C)(C)C.
What is the InChIKey of (1R)-1-[4-bromo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine?
The InChIKey is HDXCPHNFCWRMJS-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H22BrNO2/c1-10(16)12-6-5-11(15)9-13(12)17-7-8-18-14(2,3)4/h5-6,9-10H,7-8,16H2,1-4H3/t10-/m1/s1.
What are the key properties of (1R)-1-[4-bromo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine?
(1R)-1-[4-bromo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine has a molecular weight of 316.24 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-bromo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine is sourced from PubChem (CID 102946902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).