2-(3-bromo-5-ethoxy-4-methoxyphenyl)propan-2-amine

C12H18BrNO2 — CID 117465357

IUPAC2-(3-bromo-5-ethoxy-4-methoxyphenyl)propan-2-amine
SMILESCCOc1cc(C(C)(C)N)cc(Br)c1OC
InChIInChI=1S/C12H18BrNO2/c1-5-16-10-7-8(12(2,3)14)6-9(13)11(10)15-4/h6-7H,5,14H2,1-4H3
InChIKeyGFKOLKGHUXNLOR-UHFFFAOYSA-N
MW288.19 g/mol
LogP3.05
Rot. Bonds4

About 2-(3-bromo-5-ethoxy-4-methoxyphenyl)propan-2-amine

2-(3-bromo-5-ethoxy-4-methoxyphenyl)propan-2-amine (PubChem CID 117465357) has the molecular formula C12H18BrNO2 and a molecular weight of 288.19 g/mol. Its IUPAC name is 2-(3-bromo-5-ethoxy-4-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name2-(3-bromo-5-ethoxy-4-methoxyphenyl)propan-2-amine
PubChem CID117465357
Molecular FormulaC12H18BrNO2
Molecular Weight288.19 g/mol
Exact Mass287.05
IUPAC Name2-(3-bromo-5-ethoxy-4-methoxyphenyl)propan-2-amine
SMILESCCOc1cc(C(C)(C)N)cc(Br)c1OC
InChIInChI=1S/C12H18BrNO2/c1-5-16-10-7-8(12(2,3)14)6-9(13)11(10)15-4/h6-7H,5,14H2,1-4H3
InChIKeyGFKOLKGHUXNLOR-UHFFFAOYSA-N
XLogP3.05
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-bromo-5-(2-fluoropropan-2-yl)-2,3-dimethoxybenzene
CID 84714628
1-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylamino]-2-methylpropan-2-ol
CID 119128629
1-(3-bromo-5-ethoxy-4-methoxyphenyl)cyclopentan-1-amine
CID 117499479
(E)-3-(3-bromo-5-ethoxy-4-methoxyphenyl)-1-(4-tert-butylphenyl)prop-2-en-1-one
CID 7967106
3-bromo-5-ethoxy-4-methoxypyridine
CID 105490406
N-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17295767
[3-bromo-5-(cyclopropylmethoxy)-4-methoxyphenyl]methanamine
CID 117460838
(1R)-N-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]-1-phenylethanamine
CID 2238336
(3-bromo-5-ethoxy-4-methoxyphenyl)methyl-(thiophen-2-ylmethyl)azanium
CID 7315118
2-(3,5-difluoro-4-methoxyphenyl)propan-2-amine
CID 84776186
O-[[3-bromo-2-methoxy-5-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 117482825
2,3-dibromo-5-ethoxy-6-methoxybenzaldehyde
CID 17311099

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-ethoxy-4-methoxyphenyl)propan-2-amine?
The IUPAC name of 2-(3-bromo-5-ethoxy-4-methoxyphenyl)propan-2-amine (CID 117465357) is 2-(3-bromo-5-ethoxy-4-methoxyphenyl)propan-2-amine.
What is the SMILES notation for 2-(3-bromo-5-ethoxy-4-methoxyphenyl)propan-2-amine?
The canonical SMILES for 2-(3-bromo-5-ethoxy-4-methoxyphenyl)propan-2-amine is CCOc1cc(C(C)(C)N)cc(Br)c1OC.
What is the InChIKey of 2-(3-bromo-5-ethoxy-4-methoxyphenyl)propan-2-amine?
The InChIKey is GFKOLKGHUXNLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2/c1-5-16-10-7-8(12(2,3)14)6-9(13)11(10)15-4/h6-7H,5,14H2,1-4H3.
What are the key properties of 2-(3-bromo-5-ethoxy-4-methoxyphenyl)propan-2-amine?
2-(3-bromo-5-ethoxy-4-methoxyphenyl)propan-2-amine has a molecular weight of 288.19 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-ethoxy-4-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 117465357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).