5-bromo-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyridin-3-amine

C18H22BrN3O2 — CID 133359405

IUPAC5-bromo-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyridin-3-amine
SMILESBrc1cncc(NCc2ccccc2OCCN2CCOCC2)c1
InChIInChI=1S/C18H22BrN3O2/c19-16-11-17(14-20-13-16)21-12-15-3-1-2-4-18(15)24-10-7-22-5-8-23-9-6-22/h1-4,11,13-14,21H,5-10,12H2
InChIKeyWXDFMTFDPYIVNU-UHFFFAOYSA-N
MW392.30 g/mol
LogP3.17
Rot. Bonds7

About 5-bromo-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyridin-3-amine

5-bromo-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyridin-3-amine (PubChem CID 133359405) has the molecular formula C18H22BrN3O2 and a molecular weight of 392.30 g/mol. Its IUPAC name is 5-bromo-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyridin-3-amine
PubChem CID133359405
Molecular FormulaC18H22BrN3O2
Molecular Weight392.30 g/mol
Exact Mass391.09
IUPAC Name5-bromo-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyridin-3-amine
SMILESBrc1cncc(NCc2ccccc2OCCN2CCOCC2)c1
InChIInChI=1S/C18H22BrN3O2/c19-16-11-17(14-20-13-16)21-12-15-3-1-2-4-18(15)24-10-7-22-5-8-23-9-6-22/h1-4,11,13-14,21H,5-10,12H2
InChIKeyWXDFMTFDPYIVNU-UHFFFAOYSA-N
XLogP3.17
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.30
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[2-(chloromethyl)phenoxy]ethyl]morpholine
CID 18179953
N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-2,3-dihydro-1H-imidazol-2-amine
CID 67704074
N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]thieno[3,2-b]pyridin-7-amine
CID 133359416
2-[2-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 107713272
2-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]benzamide;dihydrochloride
CID 119946846
2-[[2-(2-morpholin-4-ylethoxy)phenyl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133276353
(2S)-2-amino-4-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pentanamide
CID 119865271
1-[(2-methoxyphenyl)methyl]-2-methyl-3-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine
CID 111217393
4-[2-[2-(4-phenylbutyl)phenoxy]ethyl]morpholine
CID 15389030
4-[3-[2-(3-morpholin-4-ylpropoxy)phenyl]propyl]morpholine
CID 170869645
(3S)-1-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidin-3-amine
CID 99927491
1-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclopentane-1-carboxamide
CID 119865229

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyridin-3-amine?
The IUPAC name of 5-bromo-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyridin-3-amine (CID 133359405) is 5-bromo-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyridin-3-amine?
The canonical SMILES for 5-bromo-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyridin-3-amine is Brc1cncc(NCc2ccccc2OCCN2CCOCC2)c1.
What is the InChIKey of 5-bromo-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyridin-3-amine?
The InChIKey is WXDFMTFDPYIVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O2/c19-16-11-17(14-20-13-16)21-12-15-3-1-2-4-18(15)24-10-7-22-5-8-23-9-6-22/h1-4,11,13-14,21H,5-10,12H2.
What are the key properties of 5-bromo-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyridin-3-amine?
5-bromo-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyridin-3-amine has a molecular weight of 392.30 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyridin-3-amine is sourced from PubChem (CID 133359405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).