2-[(2,5-dichlorophenoxy)methyl]-N-methylcyclopropan-1-amine

C11H13Cl2NO — CID 112547513

IUPAC2-[(2,5-dichlorophenoxy)methyl]-N-methylcyclopropan-1-amine
SMILESCNC1CC1COc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H13Cl2NO/c1-14-10-4-7(10)6-15-11-5-8(12)2-3-9(11)13/h2-3,5,7,10,14H,4,6H2,1H3
InChIKeyOHPZYRNXRZBDCC-UHFFFAOYSA-N
MW246.14 g/mol
LogP2.98
Rot. Bonds4

About 2-[(2,5-dichlorophenoxy)methyl]-N-methylcyclopropan-1-amine

2-[(2,5-dichlorophenoxy)methyl]-N-methylcyclopropan-1-amine (PubChem CID 112547513) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenoxy)methyl]-N-methylcyclopropan-1-amine.

Molecular Properties

Compound Name2-[(2,5-dichlorophenoxy)methyl]-N-methylcyclopropan-1-amine
PubChem CID112547513
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC Name2-[(2,5-dichlorophenoxy)methyl]-N-methylcyclopropan-1-amine
SMILESCNC1CC1COc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H13Cl2NO/c1-14-10-4-7(10)6-15-11-5-8(12)2-3-9(11)13/h2-3,5,7,10,14H,4,6H2,1H3
InChIKeyOHPZYRNXRZBDCC-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,5-dichlorophenoxy)-2-ethoxy-N-methylcyclobutan-1-amine
CID 104675939
1,4-dichloro-2-(2,2-dimethylpropoxy)benzene
CID 66988103
(3S)-3-[(2,5-dichlorophenoxy)methyl]piperidine
CID 26190671
2-[5-chloro-2-(3-methylbutoxy)phenyl]-N-methylcyclopropan-1-amine
CID 175144065
cis-(1R,2R)-2-[[2-chloro-5-(trifluoromethyl)phenoxy]methyl]cyclopropan-1-amine
CID 86676669
2-(2,5-dichlorophenoxy)-N-propan-2-ylpropan-1-amine
CID 62450032
(2R)-1-(2,5-dichlorophenoxy)propan-2-ol
CID 106933028
1,4-dichloro-2-propan-2-yloxybenzene
CID 20527968
1,4-dichloro-2-(2-cyclohexylethoxy)benzene
CID 114193047
1,4-dichloro-2-[2-[(2,5-dichlorophenoxy)methyl]prop-2-enoxy]benzene
CID 154157151
2-(2,5-dichlorophenoxy)acetonitrile
CID 3361196
1,4-dichloro-2-(3-ethoxypropoxy)benzene
CID 79005556

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenoxy)methyl]-N-methylcyclopropan-1-amine?
The IUPAC name of 2-[(2,5-dichlorophenoxy)methyl]-N-methylcyclopropan-1-amine (CID 112547513) is 2-[(2,5-dichlorophenoxy)methyl]-N-methylcyclopropan-1-amine.
What is the SMILES notation for 2-[(2,5-dichlorophenoxy)methyl]-N-methylcyclopropan-1-amine?
The canonical SMILES for 2-[(2,5-dichlorophenoxy)methyl]-N-methylcyclopropan-1-amine is CNC1CC1COc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[(2,5-dichlorophenoxy)methyl]-N-methylcyclopropan-1-amine?
The InChIKey is OHPZYRNXRZBDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO/c1-14-10-4-7(10)6-15-11-5-8(12)2-3-9(11)13/h2-3,5,7,10,14H,4,6H2,1H3.
What are the key properties of 2-[(2,5-dichlorophenoxy)methyl]-N-methylcyclopropan-1-amine?
2-[(2,5-dichlorophenoxy)methyl]-N-methylcyclopropan-1-amine has a molecular weight of 246.14 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorophenoxy)methyl]-N-methylcyclopropan-1-amine is sourced from PubChem (CID 112547513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).