6-(2-chlorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine

C15H17ClN2O — CID 139771071

IUPAC6-(2-chlorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine
SMILESCN(C)c1onc2c1CCC(c1ccccc1Cl)C2
InChIInChI=1S/C15H17ClN2O/c1-18(2)15-12-8-7-10(9-14(12)17-19-15)11-5-3-4-6-13(11)16/h3-6,10H,7-9H2,1-2H3
InChIKeyIKFRQMXAGJKRMB-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.67
Rot. Bonds2

About 6-(2-chlorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine

6-(2-chlorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine (PubChem CID 139771071) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine.

Molecular Properties

Compound Name6-(2-chlorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine
PubChem CID139771071
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name6-(2-chlorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine
SMILESCN(C)c1onc2c1CCC(c1ccccc1Cl)C2
InChIInChI=1S/C15H17ClN2O/c1-18(2)15-12-8-7-10(9-14(12)17-19-15)11-5-3-4-6-13(11)16/h3-6,10H,7-9H2,1-2H3
InChIKeyIKFRQMXAGJKRMB-UHFFFAOYSA-N
XLogP3.67
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine?
The IUPAC name of 6-(2-chlorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine (CID 139771071) is 6-(2-chlorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine.
What is the SMILES notation for 6-(2-chlorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine?
The canonical SMILES for 6-(2-chlorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine is CN(C)c1onc2c1CCC(c1ccccc1Cl)C2.
What is the InChIKey of 6-(2-chlorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine?
The InChIKey is IKFRQMXAGJKRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-18(2)15-12-8-7-10(9-14(12)17-19-15)11-5-3-4-6-13(11)16/h3-6,10H,7-9H2,1-2H3.
What are the key properties of 6-(2-chlorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine?
6-(2-chlorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine has a molecular weight of 276.77 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine is sourced from PubChem (CID 139771071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).