1-(1,3-benzoxazol-6-yl)-1-chloro-N,N-dimethylmethanamine

C10H11ClN2O — CID 116915255

IUPAC1-(1,3-benzoxazol-6-yl)-1-chloro-N,N-dimethylmethanamine
SMILESCN(C)C(Cl)c1ccc2ncoc2c1
InChIInChI=1S/C10H11ClN2O/c1-13(2)10(11)7-3-4-8-9(5-7)14-6-12-8/h3-6,10H,1-2H3
InChIKeyCNYMZQIJWHCGRX-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.63
Rot. Bonds2

About 1-(1,3-benzoxazol-6-yl)-1-chloro-N,N-dimethylmethanamine

1-(1,3-benzoxazol-6-yl)-1-chloro-N,N-dimethylmethanamine (PubChem CID 116915255) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-6-yl)-1-chloro-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(1,3-benzoxazol-6-yl)-1-chloro-N,N-dimethylmethanamine
PubChem CID116915255
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name1-(1,3-benzoxazol-6-yl)-1-chloro-N,N-dimethylmethanamine
SMILESCN(C)C(Cl)c1ccc2ncoc2c1
InChIInChI=1S/C10H11ClN2O/c1-13(2)10(11)7-3-4-8-9(5-7)14-6-12-8/h3-6,10H,1-2H3
InChIKeyCNYMZQIJWHCGRX-UHFFFAOYSA-N
XLogP2.63
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

6-propan-2-yl-1,3-benzoxazole
CID 21354846
1-(1,3-benzoxazol-6-yl)-2,2,2-trifluoro-N,N-dimethylethanamine
CID 116914373
3-(1,3-benzoxazol-6-yl)-3-(dimethylamino)propan-1-ol
CID 116907694
1-(1,3-benzoxazol-6-yl)-N,N-dimethylbutane-1,4-diamine
CID 116905174
1-(1,3-benzoxazol-6-yl)-N,N-dimethyl-1-piperazin-1-ylmethanamine
CID 116909699
1,3-benzoxazol-6-yl(methylamino)methanethiol
CID 116954549
3-(1,3-benzoxazol-6-yl)-3-(dimethylamino)-2,2-dimethylpropanoic acid
CID 116907995
2-(1,3-benzoxazol-6-yl)propan-1-ol
CID 117277502
2-(1,3-benzoxazol-6-yl)propanenitrile
CID 21437237
1-amino-1-(1,3-benzoxazol-6-yl)propan-2-one
CID 116859715
1-(1,3-benzoxazol-6-yl)-1-hydroxy-3-methylbutan-2-one
CID 116836015
1-(1,3-benzoxazol-6-yl)-2-sulfanylethanol
CID 116830039

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-6-yl)-1-chloro-N,N-dimethylmethanamine?
The IUPAC name of 1-(1,3-benzoxazol-6-yl)-1-chloro-N,N-dimethylmethanamine (CID 116915255) is 1-(1,3-benzoxazol-6-yl)-1-chloro-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(1,3-benzoxazol-6-yl)-1-chloro-N,N-dimethylmethanamine?
The canonical SMILES for 1-(1,3-benzoxazol-6-yl)-1-chloro-N,N-dimethylmethanamine is CN(C)C(Cl)c1ccc2ncoc2c1.
What is the InChIKey of 1-(1,3-benzoxazol-6-yl)-1-chloro-N,N-dimethylmethanamine?
The InChIKey is CNYMZQIJWHCGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-13(2)10(11)7-3-4-8-9(5-7)14-6-12-8/h3-6,10H,1-2H3.
What are the key properties of 1-(1,3-benzoxazol-6-yl)-1-chloro-N,N-dimethylmethanamine?
1-(1,3-benzoxazol-6-yl)-1-chloro-N,N-dimethylmethanamine has a molecular weight of 210.66 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-6-yl)-1-chloro-N,N-dimethylmethanamine is sourced from PubChem (CID 116915255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).