2-[[2-(5-bromo-2-methoxyphenyl)ethylamino]methyl]-3-methylbutan-1-ol

C15H24BrNO2 — CID 115252199

IUPAC2-[[2-(5-bromo-2-methoxyphenyl)ethylamino]methyl]-3-methylbutan-1-ol
SMILESCOc1ccc(Br)cc1CCNCC(CO)C(C)C
InChIInChI=1S/C15H24BrNO2/c1-11(2)13(10-18)9-17-7-6-12-8-14(16)4-5-15(12)19-3/h4-5,8,11,13,17-18H,6-7,9-10H2,1-3H3
InChIKeyQSLPECDPTIZEBB-UHFFFAOYSA-N
MW330.27 g/mol
LogP2.85
Rot. Bonds8

About 2-[[2-(5-bromo-2-methoxyphenyl)ethylamino]methyl]-3-methylbutan-1-ol

2-[[2-(5-bromo-2-methoxyphenyl)ethylamino]methyl]-3-methylbutan-1-ol (PubChem CID 115252199) has the molecular formula C15H24BrNO2 and a molecular weight of 330.27 g/mol. Its IUPAC name is 2-[[2-(5-bromo-2-methoxyphenyl)ethylamino]methyl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[2-(5-bromo-2-methoxyphenyl)ethylamino]methyl]-3-methylbutan-1-ol
PubChem CID115252199
Molecular FormulaC15H24BrNO2
Molecular Weight330.27 g/mol
Exact Mass329.10
IUPAC Name2-[[2-(5-bromo-2-methoxyphenyl)ethylamino]methyl]-3-methylbutan-1-ol
SMILESCOc1ccc(Br)cc1CCNCC(CO)C(C)C
InChIInChI=1S/C15H24BrNO2/c1-11(2)13(10-18)9-17-7-6-12-8-14(16)4-5-15(12)19-3/h4-5,8,11,13,17-18H,6-7,9-10H2,1-3H3
InChIKeyQSLPECDPTIZEBB-UHFFFAOYSA-N
XLogP2.85
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-amino-3-[2-(5-bromo-2-methoxyphenyl)ethylamino]propan-2-ol
CID 115121601
N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-methylpropanamide
CID 110788017
2-[[2-(4-methoxy-3-methylphenyl)ethylamino]methyl]-3-methylbutan-1-ol
CID 115252188
6-(5-bromo-2-methoxyphenyl)-N-(2-methylpropyl)hexan-1-amine
CID 65308860
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115137594
2-[(5-bromo-2-methoxyphenyl)methylamino]propan-1-ol
CID 43499460
4-bromo-2-[4-(5-bromo-2-methoxyphenyl)butyl]-1-methoxybenzene
CID 10693794
methyl 2-[2-(5-bromo-2-methoxyphenyl)ethylamino]-2-oxoacetate
CID 115142532
4-amino-N-[2-(5-bromo-2-methoxyphenyl)ethyl]pentanamide
CID 115156776
(2R)-4-(5-bromo-2-methoxyphenyl)butan-2-amine
CID 94231283
3-[2-(5-bromo-2-methylphenyl)ethylamino]propane-1,2-diol
CID 115122353
1-[(5-bromo-2-methoxyphenyl)methylamino]-3,3-dimethylbutan-2-ol
CID 111119237

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-bromo-2-methoxyphenyl)ethylamino]methyl]-3-methylbutan-1-ol?
The IUPAC name of 2-[[2-(5-bromo-2-methoxyphenyl)ethylamino]methyl]-3-methylbutan-1-ol (CID 115252199) is 2-[[2-(5-bromo-2-methoxyphenyl)ethylamino]methyl]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[[2-(5-bromo-2-methoxyphenyl)ethylamino]methyl]-3-methylbutan-1-ol?
The canonical SMILES for 2-[[2-(5-bromo-2-methoxyphenyl)ethylamino]methyl]-3-methylbutan-1-ol is COc1ccc(Br)cc1CCNCC(CO)C(C)C.
What is the InChIKey of 2-[[2-(5-bromo-2-methoxyphenyl)ethylamino]methyl]-3-methylbutan-1-ol?
The InChIKey is QSLPECDPTIZEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO2/c1-11(2)13(10-18)9-17-7-6-12-8-14(16)4-5-15(12)19-3/h4-5,8,11,13,17-18H,6-7,9-10H2,1-3H3.
What are the key properties of 2-[[2-(5-bromo-2-methoxyphenyl)ethylamino]methyl]-3-methylbutan-1-ol?
2-[[2-(5-bromo-2-methoxyphenyl)ethylamino]methyl]-3-methylbutan-1-ol has a molecular weight of 330.27 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-bromo-2-methoxyphenyl)ethylamino]methyl]-3-methylbutan-1-ol is sourced from PubChem (CID 115252199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).