N-(1,2-benzoxazol-3-ylmethyl)-N-benzylethanamine

C17H18N2O — CID 171690997

IUPACN-(1,2-benzoxazol-3-ylmethyl)-N-benzylethanamine
SMILESCCN(Cc1ccccc1)Cc1noc2ccccc12
InChIInChI=1S/C17H18N2O/c1-2-19(12-14-8-4-3-5-9-14)13-16-15-10-6-7-11-17(15)20-18-16/h3-11H,2,12-13H2,1H3
InChIKeyIPPORMPPALSMON-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.85
Rot. Bonds5

About N-(1,2-benzoxazol-3-ylmethyl)-N-benzylethanamine

N-(1,2-benzoxazol-3-ylmethyl)-N-benzylethanamine (PubChem CID 171690997) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(1,2-benzoxazol-3-ylmethyl)-N-benzylethanamine.

Molecular Properties

Compound NameN-(1,2-benzoxazol-3-ylmethyl)-N-benzylethanamine
PubChem CID171690997
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC NameN-(1,2-benzoxazol-3-ylmethyl)-N-benzylethanamine
SMILESCCN(Cc1ccccc1)Cc1noc2ccccc12
InChIInChI=1S/C17H18N2O/c1-2-19(12-14-8-4-3-5-9-14)13-16-15-10-6-7-11-17(15)20-18-16/h3-11H,2,12-13H2,1H3
InChIKeyIPPORMPPALSMON-UHFFFAOYSA-N
XLogP3.85
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-benzyl-N-methylacetamide
CID 22519666
3-(bromomethyl)-1,2-benzoxazole
CID 3499189
3-(1,2-benzoxazol-3-ylmethyl)-1-benzyl-1-methylurea
CID 46274750
N-benzyl-N-ethylethanamine;ethene
CID 174895763
N-benzyl-N-ethylethanamine;methanethiol
CID 142975470
2-(1,2-benzoxazol-3-yl)-N-benzyl-N-(2-hydroxyethyl)acetamide
CID 78855126
2-(1,2-benzoxazol-3-yl)-N-benzyl-N-cyclopropylacetamide
CID 38283022
3-(methoxymethyl)-1,2-benzoxazole
CID 119083448
ethane;3-methyl-1,2-benzoxazole;propane
CID 143892351
3-(2,2-dimethylpropyl)-1,2-benzoxazole;methane
CID 162069739
1-(1,2-benzoxazol-3-yl)-N-ethylmethanesulfonamide;ethane
CID 144673526
N-benzyl-N-[(4-tert-butylphenyl)methyl]ethanamine
CID 58802076

Frequently Asked Questions

What is the IUPAC name of N-(1,2-benzoxazol-3-ylmethyl)-N-benzylethanamine?
The IUPAC name of N-(1,2-benzoxazol-3-ylmethyl)-N-benzylethanamine (CID 171690997) is N-(1,2-benzoxazol-3-ylmethyl)-N-benzylethanamine.
What is the SMILES notation for N-(1,2-benzoxazol-3-ylmethyl)-N-benzylethanamine?
The canonical SMILES for N-(1,2-benzoxazol-3-ylmethyl)-N-benzylethanamine is CCN(Cc1ccccc1)Cc1noc2ccccc12.
What is the InChIKey of N-(1,2-benzoxazol-3-ylmethyl)-N-benzylethanamine?
The InChIKey is IPPORMPPALSMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-2-19(12-14-8-4-3-5-9-14)13-16-15-10-6-7-11-17(15)20-18-16/h3-11H,2,12-13H2,1H3.
What are the key properties of N-(1,2-benzoxazol-3-ylmethyl)-N-benzylethanamine?
N-(1,2-benzoxazol-3-ylmethyl)-N-benzylethanamine has a molecular weight of 266.34 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-benzoxazol-3-ylmethyl)-N-benzylethanamine is sourced from PubChem (CID 171690997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).