1-(5-bromo-3-pyridinyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine

C15H25BrN2O — CID 116725685

IUPAC1-(5-bromo-3-pyridinyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine
SMILESCCOC(C(Cc1cncc(Br)c1)NC)C(C)(C)C
InChIInChI=1S/C15H25BrN2O/c1-6-19-14(15(2,3)4)13(17-5)8-11-7-12(16)10-18-9-11/h7,9-10,13-14,17H,6,8H2,1-5H3
InChIKeyXSBUBIOGAZTBBM-UHFFFAOYSA-N
MW329.28 g/mol
LogP3.43
Rot. Bonds6

About 1-(5-bromo-3-pyridinyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine

1-(5-bromo-3-pyridinyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine (PubChem CID 116725685) has the molecular formula C15H25BrN2O and a molecular weight of 329.28 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine
PubChem CID116725685
Molecular FormulaC15H25BrN2O
Molecular Weight329.28 g/mol
Exact Mass328.12
IUPAC Name1-(5-bromo-3-pyridinyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine
SMILESCCOC(C(Cc1cncc(Br)c1)NC)C(C)(C)C
InChIInChI=1S/C15H25BrN2O/c1-6-19-14(15(2,3)4)13(17-5)8-11-7-12(16)10-18-9-11/h7,9-10,13-14,17H,6,8H2,1-5H3
InChIKeyXSBUBIOGAZTBBM-UHFFFAOYSA-N
XLogP3.43
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine
CID 116725602
1-(5-bromo-3-pyridinyl)-3-ethoxy-3-methylbutan-2-ol
CID 116713811
1-(2-bromophenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine
CID 116725632
1-(5-bromo-3-pyridinyl)-3-ethoxy-4-methylpentan-2-amine
CID 116721000
1-(2-chloro-4-methylphenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine
CID 106868825
1-(5-bromo-3-pyridinyl)-3,3-dimethyl-N-propylbutan-2-amine
CID 104801436
3-(5-bromo-3-pyridinyl)-N-ethyl-1,1-dimethoxypropan-2-amine
CID 104803184
1-(5-bromo-3-pyridinyl)-3-N,3-N,3-triethyl-2-N-methylpentane-2,3-diamine
CID 104803000
1-(5-bromo-3-pyridinyl)-3-ethylpentan-2-amine
CID 105036917
2-[(5-bromo-3-pyridinyl)methyl]-3-methylbutan-1-ol
CID 104813158
3-(5-bromo-3-pyridinyl)-N,2-dimethylpropan-1-amine
CID 104810425
1-(5-bromo-3-pyridinyl)-N-methylnonan-2-amine
CID 105036982

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine (CID 116725685) is 1-(5-bromo-3-pyridinyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine is CCOC(C(Cc1cncc(Br)c1)NC)C(C)(C)C.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine?
The InChIKey is XSBUBIOGAZTBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2O/c1-6-19-14(15(2,3)4)13(17-5)8-11-7-12(16)10-18-9-11/h7,9-10,13-14,17H,6,8H2,1-5H3.
What are the key properties of 1-(5-bromo-3-pyridinyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine?
1-(5-bromo-3-pyridinyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine has a molecular weight of 329.28 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine is sourced from PubChem (CID 116725685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).