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

C15H17ClN2O — CID 139771202

IUPAC6-(3-chlorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine
SMILESCN(C)c1onc2c1CCC(c1cccc(Cl)c1)C2
InChIInChI=1S/C15H17ClN2O/c1-18(2)15-13-7-6-11(9-14(13)17-19-15)10-4-3-5-12(16)8-10/h3-5,8,11H,6-7,9H2,1-2H3
InChIKeySEMKCEDNFMWIIU-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.67
Rot. Bonds2

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

6-(3-chlorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine (PubChem CID 139771202) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine.

Molecular Properties

Compound Name6-(3-chlorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine
PubChem CID139771202
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name6-(3-chlorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine
SMILESCN(C)c1onc2c1CCC(c1cccc(Cl)c1)C2
InChIInChI=1S/C15H17ClN2O/c1-18(2)15-13-7-6-11(9-14(13)17-19-15)10-4-3-5-12(16)8-10/h3-5,8,11H,6-7,9H2,1-2H3
InChIKeySEMKCEDNFMWIIU-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

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

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Related Compounds

6-(4-chlorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine
CID 139770961
6-(2-chlorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine
CID 139771071
5-(3-methoxyphenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine
CID 139770945
6-(4-chlorophenyl)-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine
CID 139771016
6-(4-methylphenyl)-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine
CID 139771190
1-chloro-3-cyclobutylbenzene;methane
CID 178166077
6-phenyl-3-piperidin-1-yl-4,5,6,7-tetrahydro-2,1-benzoxazole
CID 139771111
5-(3-chlorophenyl)-2-pyrimidin-4-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]oxazole
CID 58076753
4-chloro-6-(3-chlorophenyl)-3-methyl-4,5,6,7-tetrahydro-2H-indazole
CID 66489571
7-(3-chlorophenyl)-3-methyl-4,6,7,8-tetrahydro-[1,2]oxazolo[4,5-b]azepin-5-one
CID 14909742
cis-(1S,3R)-3-(3-chlorophenyl)cyclohexan-1-amine
CID 95376050
(6R)-6-(3-chlorophenyl)-1,5,6,7-tetrahydroindazol-4-one
CID 41386742

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine?
The IUPAC name of 6-(3-chlorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine (CID 139771202) is 6-(3-chlorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine.
What is the SMILES notation for 6-(3-chlorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine?
The canonical SMILES for 6-(3-chlorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine is CN(C)c1onc2c1CCC(c1cccc(Cl)c1)C2.
What is the InChIKey of 6-(3-chlorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine?
The InChIKey is SEMKCEDNFMWIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-18(2)15-13-7-6-11(9-14(13)17-19-15)10-4-3-5-12(16)8-10/h3-5,8,11H,6-7,9H2,1-2H3.
What are the key properties of 6-(3-chlorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine?
6-(3-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-(3-chlorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine is sourced from PubChem (CID 139771202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).