N-[[2-chloro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]propan-1-amine

C15H19ClN2O2 — CID 114319554

IUPACN-[[2-chloro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1c(Cl)cccc1OCc1cc(C)on1
InChIInChI=1S/C15H19ClN2O2/c1-3-7-17-9-13-14(16)5-4-6-15(13)19-10-12-8-11(2)20-18-12/h4-6,8,17H,3,7,9-10H2,1-2H3
InChIKeyQGFATQHYXGGGGD-UHFFFAOYSA-N
MW294.78 g/mol
LogP3.72
Rot. Bonds7

About N-[[2-chloro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]propan-1-amine

N-[[2-chloro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]propan-1-amine (PubChem CID 114319554) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is N-[[2-chloro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-chloro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
PubChem CID114319554
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC NameN-[[2-chloro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1c(Cl)cccc1OCc1cc(C)on1
InChIInChI=1S/C15H19ClN2O2/c1-3-7-17-9-13-14(16)5-4-6-15(13)19-10-12-8-11(2)20-18-12/h4-6,8,17H,3,7,9-10H2,1-2H3
InChIKeyQGFATQHYXGGGGD-UHFFFAOYSA-N
XLogP3.72
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 53.72
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-[[2-chloro-6-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-1-amine
CID 114319395
N-[[2-chloro-6-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine
CID 114319406
N-[(2-chloro-6-octoxyphenyl)methyl]propan-1-amine
CID 114319420
N-[[2-chloro-6-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 114319478
N-[1-[5-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 62074068
N-[[2-chloro-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 114320180
N-[(2,6-dichlorophenyl)methyl]propan-1-amine;hydrochloride
CID 17290865
N-[[2-chloro-6-(3-fluoro-4-methylphenoxy)phenyl]methyl]propan-1-amine
CID 107169925
N-[[2-chloro-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 114320143
3-[(2-ethylphenoxy)methyl]-5-methyl-1,2-oxazole
CID 60673786
3-[(2,5-dichlorophenoxy)methyl]-5-methyl-1,2-oxazole
CID 78807744
N-[[3-chloro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 63057024

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-chloro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]propan-1-amine (CID 114319554) is N-[[2-chloro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-chloro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-chloro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]propan-1-amine is CCCNCc1c(Cl)cccc1OCc1cc(C)on1.
What is the InChIKey of N-[[2-chloro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]propan-1-amine?
The InChIKey is QGFATQHYXGGGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-3-7-17-9-13-14(16)5-4-6-15(13)19-10-12-8-11(2)20-18-12/h4-6,8,17H,3,7,9-10H2,1-2H3.
What are the key properties of N-[[2-chloro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]propan-1-amine?
N-[[2-chloro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]propan-1-amine has a molecular weight of 294.78 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 114319554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).