N-[3-ethoxy-2-(4-methylphenyl)propyl]cyclopropanamine

C15H23NO — CID 103984754

IUPACN-[3-ethoxy-2-(4-methylphenyl)propyl]cyclopropanamine
SMILESCCOCC(CNC1CC1)c1ccc(C)cc1
InChIInChI=1S/C15H23NO/c1-3-17-11-14(10-16-15-8-9-15)13-6-4-12(2)5-7-13/h4-7,14-16H,3,8-11H2,1-2H3
InChIKeyWHIHZVMTUQMEEJ-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.87
Rot. Bonds7

About N-[3-ethoxy-2-(4-methylphenyl)propyl]cyclopropanamine

N-[3-ethoxy-2-(4-methylphenyl)propyl]cyclopropanamine (PubChem CID 103984754) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-[3-ethoxy-2-(4-methylphenyl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-ethoxy-2-(4-methylphenyl)propyl]cyclopropanamine
PubChem CID103984754
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-[3-ethoxy-2-(4-methylphenyl)propyl]cyclopropanamine
SMILESCCOCC(CNC1CC1)c1ccc(C)cc1
InChIInChI=1S/C15H23NO/c1-3-17-11-14(10-16-15-8-9-15)13-6-4-12(2)5-7-13/h4-7,14-16H,3,8-11H2,1-2H3
InChIKeyWHIHZVMTUQMEEJ-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-methyl-2-(4-methylphenyl)pentyl]cyclopropanamine
CID 79443677
N-[5-ethylsulfonyl-2-(4-methylphenyl)pentyl]cyclopropanamine
CID 79430982
N-[5-ethoxy-2-(4-fluorophenyl)pentyl]cyclopropanamine
CID 79438193
N-[5-methoxy-5-methyl-2-(4-methylphenyl)hexyl]cyclopropanamine
CID 103036875
N-[2-(4-methylphenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine
CID 62105975
3-(cyclopropylmethoxy)-N-ethyl-2-(4-methylphenyl)propan-1-amine
CID 106930862
N-[4-ethyl-2-(4-methylphenyl)octyl]cyclopropanamine
CID 79430983
N-[3-(cyclopropylmethoxy)-2-(3-methylphenyl)propyl]cyclopropanamine
CID 106930859
N-[2-cyclopropyl-2-(4-methylphenyl)ethyl]cyclopropanamine
CID 104819458
N-[2-(4-methylphenyl)-3-thiophen-2-ylpropyl]cyclopropanamine
CID 79437348
1-(cyclopropylamino)-3-ethoxypropan-2-ol
CID 43166145
N-[2-(4-methylphenyl)propyl]cyclopentanamine
CID 115641829

Frequently Asked Questions

What is the IUPAC name of N-[3-ethoxy-2-(4-methylphenyl)propyl]cyclopropanamine?
The IUPAC name of N-[3-ethoxy-2-(4-methylphenyl)propyl]cyclopropanamine (CID 103984754) is N-[3-ethoxy-2-(4-methylphenyl)propyl]cyclopropanamine.
What is the SMILES notation for N-[3-ethoxy-2-(4-methylphenyl)propyl]cyclopropanamine?
The canonical SMILES for N-[3-ethoxy-2-(4-methylphenyl)propyl]cyclopropanamine is CCOCC(CNC1CC1)c1ccc(C)cc1.
What is the InChIKey of N-[3-ethoxy-2-(4-methylphenyl)propyl]cyclopropanamine?
The InChIKey is WHIHZVMTUQMEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-17-11-14(10-16-15-8-9-15)13-6-4-12(2)5-7-13/h4-7,14-16H,3,8-11H2,1-2H3.
What are the key properties of N-[3-ethoxy-2-(4-methylphenyl)propyl]cyclopropanamine?
N-[3-ethoxy-2-(4-methylphenyl)propyl]cyclopropanamine has a molecular weight of 233.35 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethoxy-2-(4-methylphenyl)propyl]cyclopropanamine is sourced from PubChem (CID 103984754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).