3-(2-bromo-4-methoxyphenoxy)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine

C16H26BrNO2 — CID 104708435

IUPAC3-(2-bromo-4-methoxyphenoxy)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
SMILESCOc1ccc(OCC(C)(C)CNCC(C)C)c(Br)c1
InChIInChI=1S/C16H26BrNO2/c1-12(2)9-18-10-16(3,4)11-20-15-7-6-13(19-5)8-14(15)17/h6-8,12,18H,9-11H2,1-5H3
InChIKeyIKVNDJJWQKFGML-UHFFFAOYSA-N
MW344.29 g/mol
LogP4.11
Rot. Bonds8

About 3-(2-bromo-4-methoxyphenoxy)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine

3-(2-bromo-4-methoxyphenoxy)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine (PubChem CID 104708435) has the molecular formula C16H26BrNO2 and a molecular weight of 344.29 g/mol. Its IUPAC name is 3-(2-bromo-4-methoxyphenoxy)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-bromo-4-methoxyphenoxy)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
PubChem CID104708435
Molecular FormulaC16H26BrNO2
Molecular Weight344.29 g/mol
Exact Mass343.11
IUPAC Name3-(2-bromo-4-methoxyphenoxy)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
SMILESCOc1ccc(OCC(C)(C)CNCC(C)C)c(Br)c1
InChIInChI=1S/C16H26BrNO2/c1-12(2)9-18-10-16(3,4)11-20-15-7-6-13(19-5)8-14(15)17/h6-8,12,18H,9-11H2,1-5H3
InChIKeyIKVNDJJWQKFGML-UHFFFAOYSA-N
XLogP4.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-bromo-4-methoxyphenoxy)propyl]-2-methylpropan-1-amine
CID 104708357
3-(4-bromo-3-fluorophenoxy)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 79626121
4-(2-bromo-4-methoxyphenyl)-2,2-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 65306401
2,2-dimethyl-3-(4-methylphenoxy)-N-(2-methylpropyl)propan-1-amine
CID 79627194
2-(2-bromo-4-methoxyphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 104708465
2,2-dimethyl-3-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)propan-1-amine
CID 79619901
2-bromo-4-methoxy-1-(2,2,3,3-tetrafluoropropoxy)benzene
CID 176513361
2,2-dimethyl-3-(3-methylphenoxy)-N-(2-methylpropyl)propan-1-amine
CID 79626708
4-(2-bromo-4-methoxyphenoxy)-N-(2-methylpropyl)pentan-1-amine
CID 104708469
2-bromo-4-methoxy-1-[2-(3-methylbutoxy)ethoxy]benzene
CID 104707260
2,2-dimethyl-N-(2-methylpropyl)-3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine
CID 81341307
3-(2-bromo-4-methoxyphenoxy)-2-methylpropan-1-ol
CID 104705248

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-methoxyphenoxy)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine?
The IUPAC name of 3-(2-bromo-4-methoxyphenoxy)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine (CID 104708435) is 3-(2-bromo-4-methoxyphenoxy)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine.
What is the SMILES notation for 3-(2-bromo-4-methoxyphenoxy)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine?
The canonical SMILES for 3-(2-bromo-4-methoxyphenoxy)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine is COc1ccc(OCC(C)(C)CNCC(C)C)c(Br)c1.
What is the InChIKey of 3-(2-bromo-4-methoxyphenoxy)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine?
The InChIKey is IKVNDJJWQKFGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO2/c1-12(2)9-18-10-16(3,4)11-20-15-7-6-13(19-5)8-14(15)17/h6-8,12,18H,9-11H2,1-5H3.
What are the key properties of 3-(2-bromo-4-methoxyphenoxy)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine?
3-(2-bromo-4-methoxyphenoxy)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine has a molecular weight of 344.29 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-methoxyphenoxy)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine is sourced from PubChem (CID 104708435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).