N-[2-(3-methoxyphenyl)-2-(2-propoxyethoxy)ethyl]cyclopropanamine

C17H27NO3 — CID 63686740

IUPACN-[2-(3-methoxyphenyl)-2-(2-propoxyethoxy)ethyl]cyclopropanamine
SMILESCCCOCCOC(CNC1CC1)c1cccc(OC)c1
InChIInChI=1S/C17H27NO3/c1-3-9-20-10-11-21-17(13-18-15-7-8-15)14-5-4-6-16(12-14)19-2/h4-6,12,15,17-18H,3,7-11,13H2,1-2H3
InChIKeyIIBVYKYPQOQXMC-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.93
Rot. Bonds11

About N-[2-(3-methoxyphenyl)-2-(2-propoxyethoxy)ethyl]cyclopropanamine

N-[2-(3-methoxyphenyl)-2-(2-propoxyethoxy)ethyl]cyclopropanamine (PubChem CID 63686740) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)-2-(2-propoxyethoxy)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)-2-(2-propoxyethoxy)ethyl]cyclopropanamine
PubChem CID63686740
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-[2-(3-methoxyphenyl)-2-(2-propoxyethoxy)ethyl]cyclopropanamine
SMILESCCCOCCOC(CNC1CC1)c1cccc(OC)c1
InChIInChI=1S/C17H27NO3/c1-3-9-20-10-11-21-17(13-18-15-7-8-15)14-5-4-6-16(12-14)19-2/h4-6,12,15,17-18H,3,7-11,13H2,1-2H3
InChIKeyIIBVYKYPQOQXMC-UHFFFAOYSA-N
XLogP2.93
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-methoxyphenyl)-2-(4-methylpentoxy)ethyl]cyclopropanamine
CID 62111220
N-[2-(3-chlorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopropanamine
CID 104565658
N-[2-(4-chlorophenyl)-2-(2-propoxyethoxy)ethyl]cyclopropanamine
CID 63686545
N-ethyl-2-(3-methoxyphenyl)-2-propoxyethanamine
CID 55036120
2-(3-methoxyphenyl)-2-[2-(3-methoxypropoxy)ethoxy]-N-methylethanamine
CID 103180506
N-[2-(3-methoxyphenyl)-2-(oxolan-2-ylmethoxy)ethyl]cyclopropanamine
CID 62107947
N-[2-(3-methoxyphenyl)-3-methylbutyl]cyclopropanamine
CID 66244884
N-[2-cyclohexyl-2-(3-methoxyphenyl)ethyl]cyclopropanamine
CID 82937261
2-(2-cyclobutylethoxy)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 106205144
2-hexoxy-2-(3-methoxyphenyl)-N-methylethanamine
CID 55036389
N-(2-pentoxy-2-phenylethyl)cyclopropanamine
CID 55036631
N-[2-(3-methoxyphenyl)-2-pentoxyethyl]propan-1-amine
CID 62109389

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)-2-(2-propoxyethoxy)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(3-methoxyphenyl)-2-(2-propoxyethoxy)ethyl]cyclopropanamine (CID 63686740) is N-[2-(3-methoxyphenyl)-2-(2-propoxyethoxy)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3-methoxyphenyl)-2-(2-propoxyethoxy)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(3-methoxyphenyl)-2-(2-propoxyethoxy)ethyl]cyclopropanamine is CCCOCCOC(CNC1CC1)c1cccc(OC)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)-2-(2-propoxyethoxy)ethyl]cyclopropanamine?
The InChIKey is IIBVYKYPQOQXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-3-9-20-10-11-21-17(13-18-15-7-8-15)14-5-4-6-16(12-14)19-2/h4-6,12,15,17-18H,3,7-11,13H2,1-2H3.
What are the key properties of N-[2-(3-methoxyphenyl)-2-(2-propoxyethoxy)ethyl]cyclopropanamine?
N-[2-(3-methoxyphenyl)-2-(2-propoxyethoxy)ethyl]cyclopropanamine has a molecular weight of 293.41 g/mol, XLogP of 2.93, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)-2-(2-propoxyethoxy)ethyl]cyclopropanamine is sourced from PubChem (CID 63686740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).