N-[[2-chloro-6-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine

C15H18ClN3O2 — CID 114319229

IUPACN-[[2-chloro-6-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine
SMILESCCc1nnc(COc2cccc(Cl)c2CNC2CC2)o1
InChIInChI=1S/C15H18ClN3O2/c1-2-14-18-19-15(21-14)9-20-13-5-3-4-12(16)11(13)8-17-10-6-7-10/h3-5,10,17H,2,6-9H2,1H3
InChIKeyWTCVCCJCWIUTPX-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.12
Rot. Bonds7

About N-[[2-chloro-6-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine

N-[[2-chloro-6-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine (PubChem CID 114319229) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is N-[[2-chloro-6-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-chloro-6-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine
PubChem CID114319229
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC NameN-[[2-chloro-6-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine
SMILESCCc1nnc(COc2cccc(Cl)c2CNC2CC2)o1
InChIInChI=1S/C15H18ClN3O2/c1-2-14-18-19-15(21-14)9-20-13-5-3-4-12(16)11(13)8-17-10-6-7-10/h3-5,10,17H,2,6-9H2,1H3
InChIKeyWTCVCCJCWIUTPX-UHFFFAOYSA-N
XLogP3.12
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-chloro-6-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 114319226
N-[[2-chloro-6-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 114319361
N-[[2-chloro-6-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 114319312
1-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]propan-2-ol
CID 114319207
N-[[2-chloro-6-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclopropanamine
CID 113276682
N-[[2-chloro-6-(cyclopentylmethoxy)phenyl]methyl]cyclopropanamine
CID 114319363
N-[[2-chloro-6-(3-fluoropropoxy)phenyl]methyl]cyclopropanamine
CID 114319278
N-[[2-chloro-6-(4-methylpentoxy)phenyl]methyl]cyclopropanamine
CID 115280986
N-[[2-chloro-6-[(Z)-3-chloro-2-methylprop-2-enoxy]phenyl]methyl]cyclopropanamine
CID 114188741
2-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N,N-diethylacetamide
CID 114319211
N-[[2-chloro-6-(cyclopropylmethoxymethoxy)phenyl]methyl]cyclopropanamine
CID 106929381
5-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]pentan-1-ol
CID 114319269

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-chloro-6-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine (CID 114319229) is N-[[2-chloro-6-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-chloro-6-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-chloro-6-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine is CCc1nnc(COc2cccc(Cl)c2CNC2CC2)o1.
What is the InChIKey of N-[[2-chloro-6-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine?
The InChIKey is WTCVCCJCWIUTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-2-14-18-19-15(21-14)9-20-13-5-3-4-12(16)11(13)8-17-10-6-7-10/h3-5,10,17H,2,6-9H2,1H3.
What are the key properties of N-[[2-chloro-6-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine?
N-[[2-chloro-6-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine has a molecular weight of 307.78 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 114319229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).