N-[[5-bromo-2-(2-cyclopropylethoxy)-3-pyridinyl]methyl]ethanamine

C13H19BrN2O — CID 106205348

IUPACN-[[5-bromo-2-(2-cyclopropylethoxy)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(Br)cnc1OCCC1CC1
InChIInChI=1S/C13H19BrN2O/c1-2-15-8-11-7-12(14)9-16-13(11)17-6-5-10-3-4-10/h7,9-10,15H,2-6,8H2,1H3
InChIKeyALKUVCYLYNYQAM-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.13
Rot. Bonds7

About N-[[5-bromo-2-(2-cyclopropylethoxy)-3-pyridinyl]methyl]ethanamine

N-[[5-bromo-2-(2-cyclopropylethoxy)-3-pyridinyl]methyl]ethanamine (PubChem CID 106205348) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is N-[[5-bromo-2-(2-cyclopropylethoxy)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-bromo-2-(2-cyclopropylethoxy)-3-pyridinyl]methyl]ethanamine
PubChem CID106205348
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC NameN-[[5-bromo-2-(2-cyclopropylethoxy)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(Br)cnc1OCCC1CC1
InChIInChI=1S/C13H19BrN2O/c1-2-15-8-11-7-12(14)9-16-13(11)17-6-5-10-3-4-10/h7,9-10,15H,2-6,8H2,1H3
InChIKeyALKUVCYLYNYQAM-UHFFFAOYSA-N
XLogP3.13
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-bromo-2-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]ethanamine
CID 62292146
N-[[5-bromo-2-(oxolan-3-yloxy)-3-pyridinyl]methyl]ethanamine
CID 63557699
1-[5-bromo-2-(cyclopropylmethoxy)-3-pyridinyl]-N-methylmethanamine
CID 62291519
N-[(5-bromo-2-pentoxy-3-pyridinyl)methyl]cyclopropanamine
CID 55058832
N-[[5-bromo-2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 82831389
N-[[5-bromo-2-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 65125248
1-(5-bromo-2-propoxy-3-pyridinyl)-N-methylmethanamine
CID 62291153
3,5-dibromo-2-(2-cyclobutylethoxy)pyridine
CID 106203686
N-[[5-bromo-2-[2-(diethylamino)ethoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 62298219
N-[[5-bromo-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]ethanamine
CID 103175461
N-[[5-bromo-2-[(3-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 65125681
N-[(5-bromo-2-ethoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62291381

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-(2-cyclopropylethoxy)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[5-bromo-2-(2-cyclopropylethoxy)-3-pyridinyl]methyl]ethanamine (CID 106205348) is N-[[5-bromo-2-(2-cyclopropylethoxy)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-bromo-2-(2-cyclopropylethoxy)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[5-bromo-2-(2-cyclopropylethoxy)-3-pyridinyl]methyl]ethanamine is CCNCc1cc(Br)cnc1OCCC1CC1.
What is the InChIKey of N-[[5-bromo-2-(2-cyclopropylethoxy)-3-pyridinyl]methyl]ethanamine?
The InChIKey is ALKUVCYLYNYQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-2-15-8-11-7-12(14)9-16-13(11)17-6-5-10-3-4-10/h7,9-10,15H,2-6,8H2,1H3.
What are the key properties of N-[[5-bromo-2-(2-cyclopropylethoxy)-3-pyridinyl]methyl]ethanamine?
N-[[5-bromo-2-(2-cyclopropylethoxy)-3-pyridinyl]methyl]ethanamine has a molecular weight of 299.21 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-(2-cyclopropylethoxy)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 106205348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).