[2-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]methanamine

C17H18N2O — CID 81317575

IUPAC[2-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]methanamine
SMILESCc1cc(C)c2oc(Cc3ccccc3CN)nc2c1
InChIInChI=1S/C17H18N2O/c1-11-7-12(2)17-15(8-11)19-16(20-17)9-13-5-3-4-6-14(13)10-18/h3-8H,9-10,18H2,1-2H3
InChIKeyKQOKOOPUVLTLCU-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.49
Rot. Bonds3

About [2-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]methanamine

[2-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]methanamine (PubChem CID 81317575) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is [2-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]methanamine
PubChem CID81317575
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name[2-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]methanamine
SMILESCc1cc(C)c2oc(Cc3ccccc3CN)nc2c1
InChIInChI=1S/C17H18N2O/c1-11-7-12(2)17-15(8-11)19-16(20-17)9-13-5-3-4-6-14(13)10-18/h3-8H,9-10,18H2,1-2H3
InChIKeyKQOKOOPUVLTLCU-UHFFFAOYSA-N
XLogP3.49
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]methanamine?
The IUPAC name of [2-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]methanamine (CID 81317575) is [2-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [2-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]methanamine?
The canonical SMILES for [2-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]methanamine is Cc1cc(C)c2oc(Cc3ccccc3CN)nc2c1.
What is the InChIKey of [2-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]methanamine?
The InChIKey is KQOKOOPUVLTLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-11-7-12(2)17-15(8-11)19-16(20-17)9-13-5-3-4-6-14(13)10-18/h3-8H,9-10,18H2,1-2H3.
What are the key properties of [2-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]methanamine?
[2-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]methanamine has a molecular weight of 266.34 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 81317575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).