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

C15H17ClN2O — CID 139770961

IUPAC6-(4-chlorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine
SMILESCN(C)c1onc2c1CCC(c1ccc(Cl)cc1)C2
InChIInChI=1S/C15H17ClN2O/c1-18(2)15-13-8-5-11(9-14(13)17-19-15)10-3-6-12(16)7-4-10/h3-4,6-7,11H,5,8-9H2,1-2H3
InChIKeyDPIIBNUGZAYBTA-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.67
Rot. Bonds2

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

6-(4-chlorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine (PubChem CID 139770961) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine
PubChem CID139770961
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name6-(4-chlorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine
SMILESCN(C)c1onc2c1CCC(c1ccc(Cl)cc1)C2
InChIInChI=1S/C15H17ClN2O/c1-18(2)15-13-8-5-11(9-14(13)17-19-15)10-3-6-12(16)7-4-10/h3-4,6-7,11H,5,8-9H2,1-2H3
InChIKeyDPIIBNUGZAYBTA-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-(4-chlorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine?
The IUPAC name of 6-(4-chlorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine (CID 139770961) is 6-(4-chlorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine.
What is the SMILES notation for 6-(4-chlorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine?
The canonical SMILES for 6-(4-chlorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine is CN(C)c1onc2c1CCC(c1ccc(Cl)cc1)C2.
What is the InChIKey of 6-(4-chlorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine?
The InChIKey is DPIIBNUGZAYBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-18(2)15-13-8-5-11(9-14(13)17-19-15)10-3-6-12(16)7-4-10/h3-4,6-7,11H,5,8-9H2,1-2H3.
What are the key properties of 6-(4-chlorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine?
6-(4-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-(4-chlorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine is sourced from PubChem (CID 139770961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).