N-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]cyclopropanamine

C13H16N2O — CID 60837123

IUPACN-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]cyclopropanamine
SMILESCc1ccc2nc(CCNC3CC3)oc2c1
InChIInChI=1S/C13H16N2O/c1-9-2-5-11-12(8-9)16-13(15-11)6-7-14-10-3-4-10/h2,5,8,10,14H,3-4,6-7H2,1H3
InChIKeyQVEZHMBSBJMBRQ-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.43
Rot. Bonds4

About N-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]cyclopropanamine

N-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]cyclopropanamine (PubChem CID 60837123) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]cyclopropanamine
PubChem CID60837123
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]cyclopropanamine
SMILESCc1ccc2nc(CCNC3CC3)oc2c1
InChIInChI=1S/C13H16N2O/c1-9-2-5-11-12(8-9)16-13(15-11)6-7-14-10-3-4-10/h2,5,8,10,14H,3-4,6-7H2,1H3
InChIKeyQVEZHMBSBJMBRQ-UHFFFAOYSA-N
XLogP2.43
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole
CID 656381
2-methyl-N-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]aniline
CID 60837443
6-methyl-2-(2-pyrrolidin-2-ylethyl)-1,3-benzoxazole
CID 83859342
(6-methyl-1,3-benzoxazol-2-yl)methanol
CID 83383747
N-[3-(2-methyl-1,3-benzoxazol-6-yl)propyl]cyclopropanamine
CID 96672948
2-methyl-N-[(6-methyl-1,3-benzoxazol-2-yl)methyl]propan-2-amine
CID 79269519
N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]cyclopentanamine
CID 82336914
N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]cyclooctanamine
CID 82336932
6-methyl-2-(piperidin-2-ylmethyl)-1,3-benzoxazole
CID 83859316
N-[2-(6-methoxy-1,3-benzoxazol-2-yl)ethyl]-4-methylaniline
CID 102696512
6-methyl-2-(2-piperidin-3-ylpropyl)-1,3-benzoxazole
CID 81046290
N-[2-[5-[2-(4-methylphenyl)ethyl]-1,3-oxazol-2-yl]ethyl]cyclopropanamine
CID 65182439

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]cyclopropanamine (CID 60837123) is N-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]cyclopropanamine is Cc1ccc2nc(CCNC3CC3)oc2c1.
What is the InChIKey of N-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]cyclopropanamine?
The InChIKey is QVEZHMBSBJMBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9-2-5-11-12(8-9)16-13(15-11)6-7-14-10-3-4-10/h2,5,8,10,14H,3-4,6-7H2,1H3.
What are the key properties of N-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]cyclopropanamine?
N-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]cyclopropanamine has a molecular weight of 216.28 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 60837123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).