N-[2-(3-chlorophenoxy)-3-methoxypropyl]cyclopropanamine

C13H18ClNO2 — CID 103228332

IUPACN-[2-(3-chlorophenoxy)-3-methoxypropyl]cyclopropanamine
SMILESCOCC(CNC1CC1)Oc1cccc(Cl)c1
InChIInChI=1S/C13H18ClNO2/c1-16-9-13(8-15-11-5-6-11)17-12-4-2-3-10(14)7-12/h2-4,7,11,13,15H,5-6,8-9H2,1H3
InChIKeyLAFSHTULBXCHLY-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.49
Rot. Bonds7

About N-[2-(3-chlorophenoxy)-3-methoxypropyl]cyclopropanamine

N-[2-(3-chlorophenoxy)-3-methoxypropyl]cyclopropanamine (PubChem CID 103228332) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)-3-methoxypropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)-3-methoxypropyl]cyclopropanamine
PubChem CID103228332
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC NameN-[2-(3-chlorophenoxy)-3-methoxypropyl]cyclopropanamine
SMILESCOCC(CNC1CC1)Oc1cccc(Cl)c1
InChIInChI=1S/C13H18ClNO2/c1-16-9-13(8-15-11-5-6-11)17-12-4-2-3-10(14)7-12/h2-4,7,11,13,15H,5-6,8-9H2,1H3
InChIKeyLAFSHTULBXCHLY-UHFFFAOYSA-N
XLogP2.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenoxy)-3-methoxy-N-methylpropan-1-amine
CID 103228336
N-(3-methoxy-2-naphthalen-2-yloxypropyl)cyclopropanamine
CID 103228378
N-[2-(3-chlorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopropanamine
CID 104565658
N-[3-methoxy-2-(4-propylphenoxy)propyl]cyclopropanamine
CID 103228649
1-chloro-3-(1-methoxypropan-2-yloxy)benzene
CID 64765471
N-[2-(3-bromophenoxy)butyl]cyclopropanamine
CID 62460625
N-[2-(2-fluorophenoxy)-3-methoxypropyl]cyclopropanamine
CID 103228211
N-[2-(3-bromo-5-fluorophenoxy)-3-methoxypropyl]cyclopropanamine
CID 103228884
1-(3-chlorophenoxy)-3-[(4-ethylcyclohexyl)amino]propan-2-ol
CID 60970986
2-N-[(3-chlorophenyl)methyl]-1-N-cyclopropyl-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103225942
N-[2-(4-chlorophenoxy)butyl]cyclopropanamine
CID 62454944
3-[1-(cyclopropylamino)butan-2-yloxy]-N,N-dimethylaniline
CID 62485952

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)-3-methoxypropyl]cyclopropanamine?
The IUPAC name of N-[2-(3-chlorophenoxy)-3-methoxypropyl]cyclopropanamine (CID 103228332) is N-[2-(3-chlorophenoxy)-3-methoxypropyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3-chlorophenoxy)-3-methoxypropyl]cyclopropanamine?
The canonical SMILES for N-[2-(3-chlorophenoxy)-3-methoxypropyl]cyclopropanamine is COCC(CNC1CC1)Oc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenoxy)-3-methoxypropyl]cyclopropanamine?
The InChIKey is LAFSHTULBXCHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-16-9-13(8-15-11-5-6-11)17-12-4-2-3-10(14)7-12/h2-4,7,11,13,15H,5-6,8-9H2,1H3.
What are the key properties of N-[2-(3-chlorophenoxy)-3-methoxypropyl]cyclopropanamine?
N-[2-(3-chlorophenoxy)-3-methoxypropyl]cyclopropanamine has a molecular weight of 255.75 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)-3-methoxypropyl]cyclopropanamine is sourced from PubChem (CID 103228332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).