6-(4-methylphenyl)-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine

C14H16N2O — CID 139771190

IUPAC6-(4-methylphenyl)-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine
SMILESCc1ccc(C2CCc3c(noc3N)C2)cc1
InChIInChI=1S/C14H16N2O/c1-9-2-4-10(5-3-9)11-6-7-12-13(8-11)16-17-14(12)15/h2-5,11H,6-8,15H2,1H3
InChIKeyYPGMNCIYRMAMIB-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.84
Rot. Bonds1

About 6-(4-methylphenyl)-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine

6-(4-methylphenyl)-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine (PubChem CID 139771190) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 6-(4-methylphenyl)-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine.

Molecular Properties

Compound Name6-(4-methylphenyl)-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine
PubChem CID139771190
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name6-(4-methylphenyl)-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine
SMILESCc1ccc(C2CCc3c(noc3N)C2)cc1
InChIInChI=1S/C14H16N2O/c1-9-2-4-10(5-3-9)11-6-7-12-13(8-11)16-17-14(12)15/h2-5,11H,6-8,15H2,1H3
InChIKeyYPGMNCIYRMAMIB-UHFFFAOYSA-N
XLogP2.84
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

6-(4-chlorophenyl)-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine
CID 139771016
1-[4-(3-amino-4,5,6,7-tetrahydro-2,1-benzoxazol-5-yl)phenyl]ethanone
CID 139771129
6-(4-chlorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine
CID 139770961
1-(3,4-dimethylcyclohex-3-en-1-yl)-4-methylbenzene
CID 151968969
1-[4-[3-(methylamino)-4,5,6,7-tetrahydro-2,1-benzoxazol-6-yl]phenyl]ethanone
CID 139770929
methyl 4-[3-(methylamino)-4,5,6,7-tetrahydro-2,1-benzoxazol-6-yl]benzoate
CID 139770876
CID 59940181
CID 59940181
6-phenyl-3-piperidin-1-yl-4,5,6,7-tetrahydro-2,1-benzoxazole
CID 139771111
5,6-difluoro-2-(4-methylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139848451
(5R)-5-tert-butyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine
CID 95004178
6-(3-chlorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine
CID 139771202
3-(4-hydroxyphenyl)cyclopentan-1-one;3-(4-methylphenyl)cyclopentan-1-one
CID 167708371

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine?
The IUPAC name of 6-(4-methylphenyl)-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine (CID 139771190) is 6-(4-methylphenyl)-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine.
What is the SMILES notation for 6-(4-methylphenyl)-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine?
The canonical SMILES for 6-(4-methylphenyl)-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine is Cc1ccc(C2CCc3c(noc3N)C2)cc1.
What is the InChIKey of 6-(4-methylphenyl)-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine?
The InChIKey is YPGMNCIYRMAMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-9-2-4-10(5-3-9)11-6-7-12-13(8-11)16-17-14(12)15/h2-5,11H,6-8,15H2,1H3.
What are the key properties of 6-(4-methylphenyl)-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine?
6-(4-methylphenyl)-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine has a molecular weight of 228.30 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine is sourced from PubChem (CID 139771190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).