5-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]pyridin-2-amine

C13H19BrN2O2 — CID 71871276

IUPAC5-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]pyridin-2-amine
SMILESBrc1ccc(NCCCOCC2CCCO2)nc1
InChIInChI=1S/C13H19BrN2O2/c14-11-4-5-13(16-9-11)15-6-2-7-17-10-12-3-1-8-18-12/h4-5,9,12H,1-3,6-8,10H2,(H,15,16)
InChIKeyDUFAXCVUMQDTSV-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.84
Rot. Bonds7

About 5-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]pyridin-2-amine

5-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]pyridin-2-amine (PubChem CID 71871276) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 5-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]pyridin-2-amine
PubChem CID71871276
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name5-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]pyridin-2-amine
SMILESBrc1ccc(NCCCOCC2CCCO2)nc1
InChIInChI=1S/C13H19BrN2O2/c14-11-4-5-13(16-9-11)15-6-2-7-17-10-12-3-1-8-18-12/h4-5,9,12H,1-3,6-8,10H2,(H,15,16)
InChIKeyDUFAXCVUMQDTSV-UHFFFAOYSA-N
XLogP2.84
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.84
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

5-bromo-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine
CID 61039267
5-bromo-N-[[(2R)-oxolan-2-yl]methyl]pyridin-2-amine
CID 29266636
5-bromo-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine
CID 29266634
5-(oxolan-2-ylmethoxymethyl)-N-propylpyridin-2-amine
CID 62194442
2-methyl-1-[3-(oxolan-2-ylmethoxy)propyl]-3-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine
CID 111409125
3-(4-bromophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]cyclobutan-1-amine
CID 120605728
N-[(4-bromo-2-chlorophenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 115651725
3-[(5-bromo-2-pyridinyl)amino]propyl hydrogen sulfite
CID 174853714
5-bromo-2-nitro-N-[2-(oxolan-2-ylmethoxy)ethyl]aniline
CID 133389019
3-(oxolan-2-ylmethoxy)-N-(pyrimidin-5-ylmethyl)propan-1-amine
CID 62760624
2-[2-(3-bromophenoxy)ethoxymethyl]oxolane
CID 54970515
3-(oxolan-2-ylmethoxy)-N-(pyrazin-2-ylmethyl)propan-1-amine
CID 62762499

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]pyridin-2-amine?
The IUPAC name of 5-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]pyridin-2-amine (CID 71871276) is 5-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]pyridin-2-amine is Brc1ccc(NCCCOCC2CCCO2)nc1.
What is the InChIKey of 5-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]pyridin-2-amine?
The InChIKey is DUFAXCVUMQDTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c14-11-4-5-13(16-9-11)15-6-2-7-17-10-12-3-1-8-18-12/h4-5,9,12H,1-3,6-8,10H2,(H,15,16).
What are the key properties of 5-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]pyridin-2-amine?
5-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]pyridin-2-amine has a molecular weight of 315.21 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]pyridin-2-amine is sourced from PubChem (CID 71871276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).