1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-cyclopropylethanamine

C18H18N2O — CID 18357508

IUPAC1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-cyclopropylethanamine
SMILESNC(CC1CC1)c1ccccc1-c1noc2ccccc12
InChIInChI=1S/C18H18N2O/c19-16(11-12-9-10-12)13-5-1-2-6-14(13)18-15-7-3-4-8-17(15)21-20-18/h1-8,12,16H,9-11,19H2
InChIKeyZHYXZJQTHJLAME-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.29
Rot. Bonds4

About 1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-cyclopropylethanamine

1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-cyclopropylethanamine (PubChem CID 18357508) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-cyclopropylethanamine.

Molecular Properties

Compound Name1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-cyclopropylethanamine
PubChem CID18357508
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-cyclopropylethanamine
SMILESNC(CC1CC1)c1ccccc1-c1noc2ccccc12
InChIInChI=1S/C18H18N2O/c19-16(11-12-9-10-12)13-5-1-2-6-14(13)18-15-7-3-4-8-17(15)21-20-18/h1-8,12,16H,9-11,19H2
InChIKeyZHYXZJQTHJLAME-UHFFFAOYSA-N
XLogP4.29
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-cyclopropylethanamine?
The IUPAC name of 1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-cyclopropylethanamine (CID 18357508) is 1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-cyclopropylethanamine.
What is the SMILES notation for 1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-cyclopropylethanamine?
The canonical SMILES for 1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-cyclopropylethanamine is NC(CC1CC1)c1ccccc1-c1noc2ccccc12.
What is the InChIKey of 1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-cyclopropylethanamine?
The InChIKey is ZHYXZJQTHJLAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c19-16(11-12-9-10-12)13-5-1-2-6-14(13)18-15-7-3-4-8-17(15)21-20-18/h1-8,12,16H,9-11,19H2.
What are the key properties of 1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-cyclopropylethanamine?
1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-cyclopropylethanamine has a molecular weight of 278.36 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-cyclopropylethanamine is sourced from PubChem (CID 18357508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).