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

C14H23BrN2O3 — CID 104566317

IUPACN-[[5-bromo-2-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methyl]propan-2-amine
SMILESCOCCOCCOc1ncc(Br)cc1CNC(C)C
InChIInChI=1S/C14H23BrN2O3/c1-11(2)16-9-12-8-13(15)10-17-14(12)20-7-6-19-5-4-18-3/h8,10-11,16H,4-7,9H2,1-3H3
InChIKeyMNFWRIDURREMGK-UHFFFAOYSA-N
MW347.25 g/mol
LogP2.38
Rot. Bonds10

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

N-[[5-bromo-2-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methyl]propan-2-amine (PubChem CID 104566317) has the molecular formula C14H23BrN2O3 and a molecular weight of 347.25 g/mol. Its IUPAC name is N-[[5-bromo-2-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-bromo-2-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methyl]propan-2-amine
PubChem CID104566317
Molecular FormulaC14H23BrN2O3
Molecular Weight347.25 g/mol
Exact Mass346.09
IUPAC NameN-[[5-bromo-2-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methyl]propan-2-amine
SMILESCOCCOCCOc1ncc(Br)cc1CNC(C)C
InChIInChI=1S/C14H23BrN2O3/c1-11(2)16-9-12-8-13(15)10-17-14(12)20-7-6-19-5-4-18-3/h8,10-11,16H,4-7,9H2,1-3H3
InChIKeyMNFWRIDURREMGK-UHFFFAOYSA-N
XLogP2.38
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.25
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-bromo-2-(2-propan-2-yloxyethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62290354
[5-bromo-2-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methanol
CID 104564186
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-(3-methoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62298160
N-[[5-bromo-2-(3,5-difluorophenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62783784
N-[[5-bromo-2-(4-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62295659
5-bromo-N-(2-methoxyethyl)-N-(2-methylpropyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62282182
5-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-3-carboxylic acid
CID 104560416
N-[[5-bromo-2-(3,4-dichlorophenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 63489176
5-bromo-2-[3-(2-methoxyethoxy)propoxy]pyridin-3-amine
CID 103400992
N-[[5-bromo-2-(4-chloro-2-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 63489168

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-bromo-2-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methyl]propan-2-amine (CID 104566317) is N-[[5-bromo-2-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-bromo-2-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-bromo-2-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methyl]propan-2-amine is COCCOCCOc1ncc(Br)cc1CNC(C)C.
What is the InChIKey of N-[[5-bromo-2-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is MNFWRIDURREMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O3/c1-11(2)16-9-12-8-13(15)10-17-14(12)20-7-6-19-5-4-18-3/h8,10-11,16H,4-7,9H2,1-3H3.
What are the key properties of N-[[5-bromo-2-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methyl]propan-2-amine?
N-[[5-bromo-2-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 347.25 g/mol, XLogP of 2.38, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 104566317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).