N-[[5-bromo-2-(2-propan-2-yloxyethoxy)-3-pyridinyl]methyl]propan-2-amine

C14H23BrN2O2 — CID 62290354

IUPACN-[[5-bromo-2-(2-propan-2-yloxyethoxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(Br)cnc1OCCOC(C)C
InChIInChI=1S/C14H23BrN2O2/c1-10(2)16-8-12-7-13(15)9-17-14(12)19-6-5-18-11(3)4/h7,9-11,16H,5-6,8H2,1-4H3
InChIKeyKBPLILNDOFHLKX-UHFFFAOYSA-N
MW331.25 g/mol
LogP3.15
Rot. Bonds8

About N-[[5-bromo-2-(2-propan-2-yloxyethoxy)-3-pyridinyl]methyl]propan-2-amine

N-[[5-bromo-2-(2-propan-2-yloxyethoxy)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 62290354) has the molecular formula C14H23BrN2O2 and a molecular weight of 331.25 g/mol. Its IUPAC name is N-[[5-bromo-2-(2-propan-2-yloxyethoxy)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-bromo-2-(2-propan-2-yloxyethoxy)-3-pyridinyl]methyl]propan-2-amine
PubChem CID62290354
Molecular FormulaC14H23BrN2O2
Molecular Weight331.25 g/mol
Exact Mass330.09
IUPAC NameN-[[5-bromo-2-(2-propan-2-yloxyethoxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(Br)cnc1OCCOC(C)C
InChIInChI=1S/C14H23BrN2O2/c1-10(2)16-8-12-7-13(15)9-17-14(12)19-6-5-18-11(3)4/h7,9-11,16H,5-6,8H2,1-4H3
InChIKeyKBPLILNDOFHLKX-UHFFFAOYSA-N
XLogP3.15
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.25
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-bromo-2-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methyl]propan-2-amine
CID 104566317
N-[[5-bromo-2-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]propan-2-amine
CID 62292181
N-[[5-bromo-2-(2-pyridin-2-ylethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62290065
N-[[5-bromo-2-(4-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62295659
N-[[5-bromo-2-(3,5-difluorophenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62783784
N-[[5-bromo-2-(3,4-dichlorophenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 63489176
N-[[5-bromo-2-(3-methoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62298160
N-[[5-bromo-2-(4-chloro-2-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 63489168
1-(5-bromo-2-propoxy-3-pyridinyl)-N-methylmethanamine
CID 62291153
N-[[5-bromo-2-(3-fluoro-4-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 107170579
1-[5-bromo-2-(2-methylpropoxy)-3-pyridinyl]-N-methylmethanamine
CID 62290504
5-bromo-2-(2-propan-2-yloxyethoxy)pyrimidine
CID 63867544

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-(2-propan-2-yloxyethoxy)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-bromo-2-(2-propan-2-yloxyethoxy)-3-pyridinyl]methyl]propan-2-amine (CID 62290354) is N-[[5-bromo-2-(2-propan-2-yloxyethoxy)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-bromo-2-(2-propan-2-yloxyethoxy)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-bromo-2-(2-propan-2-yloxyethoxy)-3-pyridinyl]methyl]propan-2-amine is CC(C)NCc1cc(Br)cnc1OCCOC(C)C.
What is the InChIKey of N-[[5-bromo-2-(2-propan-2-yloxyethoxy)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is KBPLILNDOFHLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O2/c1-10(2)16-8-12-7-13(15)9-17-14(12)19-6-5-18-11(3)4/h7,9-11,16H,5-6,8H2,1-4H3.
What are the key properties of N-[[5-bromo-2-(2-propan-2-yloxyethoxy)-3-pyridinyl]methyl]propan-2-amine?
N-[[5-bromo-2-(2-propan-2-yloxyethoxy)-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 331.25 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-(2-propan-2-yloxyethoxy)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 62290354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).