2-[1-[(2-chloro-4-methylphenoxy)methyl]cyclopropyl]ethanamine

C13H18ClNO — CID 65496896

IUPAC2-[1-[(2-chloro-4-methylphenoxy)methyl]cyclopropyl]ethanamine
SMILESCc1ccc(OCC2(CCN)CC2)c(Cl)c1
InChIInChI=1S/C13H18ClNO/c1-10-2-3-12(11(14)8-10)16-9-13(4-5-13)6-7-15/h2-3,8H,4-7,9,15H2,1H3
InChIKeyGGCFLVSFMWOPTO-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.16
Rot. Bonds5

About 2-[1-[(2-chloro-4-methylphenoxy)methyl]cyclopropyl]ethanamine

2-[1-[(2-chloro-4-methylphenoxy)methyl]cyclopropyl]ethanamine (PubChem CID 65496896) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-[1-[(2-chloro-4-methylphenoxy)methyl]cyclopropyl]ethanamine.

Molecular Properties

Compound Name2-[1-[(2-chloro-4-methylphenoxy)methyl]cyclopropyl]ethanamine
PubChem CID65496896
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name2-[1-[(2-chloro-4-methylphenoxy)methyl]cyclopropyl]ethanamine
SMILESCc1ccc(OCC2(CCN)CC2)c(Cl)c1
InChIInChI=1S/C13H18ClNO/c1-10-2-3-12(11(14)8-10)16-9-13(4-5-13)6-7-15/h2-3,8H,4-7,9,15H2,1H3
InChIKeyGGCFLVSFMWOPTO-UHFFFAOYSA-N
XLogP3.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(2,4-dichlorophenoxy)methyl]cyclopropyl]ethanamine
CID 65495619
2-[1-[(2-chloro-4-methylphenoxy)methyl]cyclopropyl]acetonitrile
CID 65492627
2-[1-[(2-bromo-4-chlorophenoxy)methyl]cyclopropyl]ethanamine
CID 65496044
2-[1-[(2,5-dichlorophenoxy)methyl]cyclopropyl]ethanamine
CID 65498164
2-[1-[(2,4,6-trimethylphenoxy)methyl]cyclopropyl]ethanamine
CID 65495410
2-[1-[(4-chloro-3-ethylphenoxy)methyl]cyclopropyl]ethanamine
CID 65496464
2-[1-[(2,5-difluorophenoxy)methyl]cyclopropyl]ethanamine
CID 65497318
2-[1-[(2-fluorophenoxy)methyl]cyclopropyl]ethanamine
CID 65497942
1-(bromomethyl)-1-[(2-chloro-5-methylphenoxy)methyl]cycloheptane
CID 65010357
[1-[(2-chloro-5-methylphenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65002656
2-[1-(naphthalen-1-yloxymethyl)cyclopropyl]ethanamine
CID 65496036
2-[1-[(2-methoxy-4-methylphenoxy)methyl]cyclopropyl]acetic acid
CID 65498044

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-chloro-4-methylphenoxy)methyl]cyclopropyl]ethanamine?
The IUPAC name of 2-[1-[(2-chloro-4-methylphenoxy)methyl]cyclopropyl]ethanamine (CID 65496896) is 2-[1-[(2-chloro-4-methylphenoxy)methyl]cyclopropyl]ethanamine.
What is the SMILES notation for 2-[1-[(2-chloro-4-methylphenoxy)methyl]cyclopropyl]ethanamine?
The canonical SMILES for 2-[1-[(2-chloro-4-methylphenoxy)methyl]cyclopropyl]ethanamine is Cc1ccc(OCC2(CCN)CC2)c(Cl)c1.
What is the InChIKey of 2-[1-[(2-chloro-4-methylphenoxy)methyl]cyclopropyl]ethanamine?
The InChIKey is GGCFLVSFMWOPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-10-2-3-12(11(14)8-10)16-9-13(4-5-13)6-7-15/h2-3,8H,4-7,9,15H2,1H3.
What are the key properties of 2-[1-[(2-chloro-4-methylphenoxy)methyl]cyclopropyl]ethanamine?
2-[1-[(2-chloro-4-methylphenoxy)methyl]cyclopropyl]ethanamine has a molecular weight of 239.75 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-chloro-4-methylphenoxy)methyl]cyclopropyl]ethanamine is sourced from PubChem (CID 65496896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).