N-[[5-bromo-2-(3-ethoxypropoxy)phenyl]methyl]-2-methylpropan-2-amine

C16H26BrNO2 — CID 65176131

IUPACN-[[5-bromo-2-(3-ethoxypropoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCCOCCCOc1ccc(Br)cc1CNC(C)(C)C
InChIInChI=1S/C16H26BrNO2/c1-5-19-9-6-10-20-15-8-7-14(17)11-13(15)12-18-16(2,3)4/h7-8,11,18H,5-6,9-10,12H2,1-4H3
InChIKeyFXCJKAOUUFBRFJ-UHFFFAOYSA-N
MW344.29 g/mol
LogP4.14
Rot. Bonds8

About N-[[5-bromo-2-(3-ethoxypropoxy)phenyl]methyl]-2-methylpropan-2-amine

N-[[5-bromo-2-(3-ethoxypropoxy)phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 65176131) has the molecular formula C16H26BrNO2 and a molecular weight of 344.29 g/mol. Its IUPAC name is N-[[5-bromo-2-(3-ethoxypropoxy)phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-bromo-2-(3-ethoxypropoxy)phenyl]methyl]-2-methylpropan-2-amine
PubChem CID65176131
Molecular FormulaC16H26BrNO2
Molecular Weight344.29 g/mol
Exact Mass343.11
IUPAC NameN-[[5-bromo-2-(3-ethoxypropoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCCOCCCOc1ccc(Br)cc1CNC(C)(C)C
InChIInChI=1S/C16H26BrNO2/c1-5-19-9-6-10-20-15-8-7-14(17)11-13(15)12-18-16(2,3)4/h7-8,11,18H,5-6,9-10,12H2,1-4H3
InChIKeyFXCJKAOUUFBRFJ-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(3-ethoxypropoxy)-5-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 107696639
6-[4-bromo-2-[(tert-butylamino)methyl]phenoxy]hexan-1-ol
CID 107702576
methyl 4-[4-bromo-2-[(tert-butylamino)methyl]phenoxy]butanoate
CID 63057679
N-[[5-bromo-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 65158549
N-[[5-bromo-2-(3-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 76983199
N-[[5-bromo-2-(pyridin-4-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63057171
N-[[2-(2-ethoxyethoxy)-5-nitrophenyl]methyl]-2-methylpropan-2-amine
CID 63056250
N-[[5-bromo-2-(oxan-4-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63058191
2-[4-bromo-2-[(3-ethoxypropylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17053775
1-(5-bromo-2-propoxyphenyl)-N-methoxymethanamine
CID 82706232
2-[(5-bromo-2-propoxyphenyl)methylamino]-2-ethylbutan-1-ol
CID 62518917
N-[(5-bromo-2-butoxyphenyl)methyl]propan-1-amine
CID 43277546

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-(3-ethoxypropoxy)phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-bromo-2-(3-ethoxypropoxy)phenyl]methyl]-2-methylpropan-2-amine (CID 65176131) is N-[[5-bromo-2-(3-ethoxypropoxy)phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-bromo-2-(3-ethoxypropoxy)phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-bromo-2-(3-ethoxypropoxy)phenyl]methyl]-2-methylpropan-2-amine is CCOCCCOc1ccc(Br)cc1CNC(C)(C)C.
What is the InChIKey of N-[[5-bromo-2-(3-ethoxypropoxy)phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is FXCJKAOUUFBRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO2/c1-5-19-9-6-10-20-15-8-7-14(17)11-13(15)12-18-16(2,3)4/h7-8,11,18H,5-6,9-10,12H2,1-4H3.
What are the key properties of N-[[5-bromo-2-(3-ethoxypropoxy)phenyl]methyl]-2-methylpropan-2-amine?
N-[[5-bromo-2-(3-ethoxypropoxy)phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 344.29 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-(3-ethoxypropoxy)phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 65176131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).