2-[3,5-dichloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine

C12H13Cl2N3O2 — CID 54930553

IUPAC2-[3,5-dichloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine
SMILESCc1nnc(COc2c(Cl)cc(Cl)cc2CCN)o1
InChIInChI=1S/C12H13Cl2N3O2/c1-7-16-17-11(19-7)6-18-12-8(2-3-15)4-9(13)5-10(12)14/h4-5H,2-3,6,15H2,1H3
InChIKeyLIEHDPNJVZJVNT-UHFFFAOYSA-N
MW302.16 g/mol
LogP2.77
Rot. Bonds5

About 2-[3,5-dichloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine

2-[3,5-dichloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine (PubChem CID 54930553) has the molecular formula C12H13Cl2N3O2 and a molecular weight of 302.16 g/mol. Its IUPAC name is 2-[3,5-dichloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3,5-dichloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine
PubChem CID54930553
Molecular FormulaC12H13Cl2N3O2
Molecular Weight302.16 g/mol
Exact Mass301.04
IUPAC Name2-[3,5-dichloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine
SMILESCc1nnc(COc2c(Cl)cc(Cl)cc2CCN)o1
InChIInChI=1S/C12H13Cl2N3O2/c1-7-16-17-11(19-7)6-18-12-8(2-3-15)4-9(13)5-10(12)14/h4-5H,2-3,6,15H2,1H3
InChIKeyLIEHDPNJVZJVNT-UHFFFAOYSA-N
XLogP2.77
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3,5-dichloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanamine
CID 60889820
2-[5-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine
CID 63325788
2-[3,5-dichloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 103049271
2-[3,5-dichloro-2-(thiophen-2-ylmethoxy)phenyl]ethanamine
CID 54930333
[3-chloro-5-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanol
CID 28898150
2-[2-[(5-bromothiophen-2-yl)methoxy]-3,5-dichlorophenyl]ethanamine
CID 63421158
2-[3,5-dichloro-2-(3-fluoropropoxy)phenyl]ethanamine
CID 81114613
2-(3,5-dichloro-2-nonoxyphenyl)ethanamine
CID 63421467
2-[3,5-dichloro-2-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 60905717
1-[5-chloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 60883695
2-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]ethanamine
CID 60922555
2-[3-bromo-5-ethoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine
CID 60905967

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dichloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine?
The IUPAC name of 2-[3,5-dichloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine (CID 54930553) is 2-[3,5-dichloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[3,5-dichloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for 2-[3,5-dichloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine is Cc1nnc(COc2c(Cl)cc(Cl)cc2CCN)o1.
What is the InChIKey of 2-[3,5-dichloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine?
The InChIKey is LIEHDPNJVZJVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3O2/c1-7-16-17-11(19-7)6-18-12-8(2-3-15)4-9(13)5-10(12)14/h4-5H,2-3,6,15H2,1H3.
What are the key properties of 2-[3,5-dichloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine?
2-[3,5-dichloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine has a molecular weight of 302.16 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dichloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 54930553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).