N-[3-methoxy-2-(4-propylphenoxy)propyl]cyclopropanamine

C16H25NO2 — CID 103228649

IUPACN-[3-methoxy-2-(4-propylphenoxy)propyl]cyclopropanamine
SMILESCCCc1ccc(OC(CNC2CC2)COC)cc1
InChIInChI=1S/C16H25NO2/c1-3-4-13-5-9-15(10-6-13)19-16(12-18-2)11-17-14-7-8-14/h5-6,9-10,14,16-17H,3-4,7-8,11-12H2,1-2H3
InChIKeyYVZGTOWJOVYQKU-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.78
Rot. Bonds9

About N-[3-methoxy-2-(4-propylphenoxy)propyl]cyclopropanamine

N-[3-methoxy-2-(4-propylphenoxy)propyl]cyclopropanamine (PubChem CID 103228649) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[3-methoxy-2-(4-propylphenoxy)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-methoxy-2-(4-propylphenoxy)propyl]cyclopropanamine
PubChem CID103228649
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[3-methoxy-2-(4-propylphenoxy)propyl]cyclopropanamine
SMILESCCCc1ccc(OC(CNC2CC2)COC)cc1
InChIInChI=1S/C16H25NO2/c1-3-4-13-5-9-15(10-6-13)19-16(12-18-2)11-17-14-7-8-14/h5-6,9-10,14,16-17H,3-4,7-8,11-12H2,1-2H3
InChIKeyYVZGTOWJOVYQKU-UHFFFAOYSA-N
XLogP2.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-propylphenoxy)propyl]cyclohexanamine
CID 63515427
N-(3-methoxy-2-naphthalen-2-yloxypropyl)cyclopropanamine
CID 103228378
N-[2-(3-chlorophenoxy)-3-methoxypropyl]cyclopropanamine
CID 103228332
N-[2-(4-butylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine
CID 103228933
N-[2-(4-butylphenoxy)-3-methylbutyl]cyclopropanamine
CID 115493372
N-[2-(4-chlorophenoxy)butyl]cyclopropanamine
CID 62454944
N-[2-(4-propoxyphenoxy)propyl]cyclopropanamine
CID 62486929
N-[2-(4-tert-butylphenoxy)butyl]cyclopropanamine
CID 62454910
N-[2-(2-fluorophenoxy)-3-methoxypropyl]cyclopropanamine
CID 103228211
N-[2-(3-bromo-5-fluorophenoxy)-3-methoxypropyl]cyclopropanamine
CID 103228884
N-[2-[4-(trifluoromethyl)phenoxy]pentyl]cyclopropanamine
CID 83044258
N-(2-methoxyethyl)-2-(4-propylphenoxy)propan-1-amine
CID 62584394

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-2-(4-propylphenoxy)propyl]cyclopropanamine?
The IUPAC name of N-[3-methoxy-2-(4-propylphenoxy)propyl]cyclopropanamine (CID 103228649) is N-[3-methoxy-2-(4-propylphenoxy)propyl]cyclopropanamine.
What is the SMILES notation for N-[3-methoxy-2-(4-propylphenoxy)propyl]cyclopropanamine?
The canonical SMILES for N-[3-methoxy-2-(4-propylphenoxy)propyl]cyclopropanamine is CCCc1ccc(OC(CNC2CC2)COC)cc1.
What is the InChIKey of N-[3-methoxy-2-(4-propylphenoxy)propyl]cyclopropanamine?
The InChIKey is YVZGTOWJOVYQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-4-13-5-9-15(10-6-13)19-16(12-18-2)11-17-14-7-8-14/h5-6,9-10,14,16-17H,3-4,7-8,11-12H2,1-2H3.
What are the key properties of N-[3-methoxy-2-(4-propylphenoxy)propyl]cyclopropanamine?
N-[3-methoxy-2-(4-propylphenoxy)propyl]cyclopropanamine has a molecular weight of 263.38 g/mol, XLogP of 2.78, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-2-(4-propylphenoxy)propyl]cyclopropanamine is sourced from PubChem (CID 103228649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).