N-[(7-chloro-1,3-benzoxazol-2-yl)methyl]-2-methoxyethanamine

C11H13ClN2O2 — CID 81432937

IUPACN-[(7-chloro-1,3-benzoxazol-2-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1nc2cccc(Cl)c2o1
InChIInChI=1S/C11H13ClN2O2/c1-15-6-5-13-7-10-14-9-4-2-3-8(12)11(9)16-10/h2-4,13H,5-7H2,1H3
InChIKeySTMYHCNZAZXIFT-UHFFFAOYSA-N
MW240.69 g/mol
LogP2.22
Rot. Bonds5

About N-[(7-chloro-1,3-benzoxazol-2-yl)methyl]-2-methoxyethanamine

N-[(7-chloro-1,3-benzoxazol-2-yl)methyl]-2-methoxyethanamine (PubChem CID 81432937) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is N-[(7-chloro-1,3-benzoxazol-2-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(7-chloro-1,3-benzoxazol-2-yl)methyl]-2-methoxyethanamine
PubChem CID81432937
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC NameN-[(7-chloro-1,3-benzoxazol-2-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1nc2cccc(Cl)c2o1
InChIInChI=1S/C11H13ClN2O2/c1-15-6-5-13-7-10-14-9-4-2-3-8(12)11(9)16-10/h2-4,13H,5-7H2,1H3
InChIKeySTMYHCNZAZXIFT-UHFFFAOYSA-N
XLogP2.22
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 52.22
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-[(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)methyl]-2-methoxyethanamine
CID 82720961
(7-chloro-1,3-benzoxazol-2-yl)methanol
CID 130132807
N-(3-chloro-2-fluorophenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968508
N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine
CID 63758469
N-[(3-chloro-2-methoxyphenyl)methyl]-2-methoxyethanamine
CID 112610577
N-[[2-chloro-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 114320180
N-[[2-chloro-6-(2-methoxyethoxy)phenyl]methyl]-2-methoxyethanamine
CID 114320091
2-methoxy-N-(quinolin-5-ylmethyl)ethanamine
CID 62543986
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methoxypropan-1-amine
CID 110652114
2-methoxy-N-[(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 63758119
N-[(2-chloro-6-pyrimidin-2-ylsulfanylphenyl)methyl]-2-methoxyethanamine
CID 63804632
2-(1,3-benzoxazol-2-ylmethylamino)ethyl methanesulfonate
CID 86637355

Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-1,3-benzoxazol-2-yl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(7-chloro-1,3-benzoxazol-2-yl)methyl]-2-methoxyethanamine (CID 81432937) is N-[(7-chloro-1,3-benzoxazol-2-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(7-chloro-1,3-benzoxazol-2-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(7-chloro-1,3-benzoxazol-2-yl)methyl]-2-methoxyethanamine is COCCNCc1nc2cccc(Cl)c2o1.
What is the InChIKey of N-[(7-chloro-1,3-benzoxazol-2-yl)methyl]-2-methoxyethanamine?
The InChIKey is STMYHCNZAZXIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c1-15-6-5-13-7-10-14-9-4-2-3-8(12)11(9)16-10/h2-4,13H,5-7H2,1H3.
What are the key properties of N-[(7-chloro-1,3-benzoxazol-2-yl)methyl]-2-methoxyethanamine?
N-[(7-chloro-1,3-benzoxazol-2-yl)methyl]-2-methoxyethanamine has a molecular weight of 240.69 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloro-1,3-benzoxazol-2-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 81432937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).