N-[2-(4-ethoxyphenoxy)-3-methylbutyl]cyclopropanamine

C16H25NO2 — CID 62449679

IUPACN-[2-(4-ethoxyphenoxy)-3-methylbutyl]cyclopropanamine
SMILESCCOc1ccc(OC(CNC2CC2)C(C)C)cc1
InChIInChI=1S/C16H25NO2/c1-4-18-14-7-9-15(10-8-14)19-16(12(2)3)11-17-13-5-6-13/h7-10,12-13,16-17H,4-6,11H2,1-3H3
InChIKeyZMPHXPKEJJBNMX-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.24
Rot. Bonds8

About N-[2-(4-ethoxyphenoxy)-3-methylbutyl]cyclopropanamine

N-[2-(4-ethoxyphenoxy)-3-methylbutyl]cyclopropanamine (PubChem CID 62449679) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenoxy)-3-methylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenoxy)-3-methylbutyl]cyclopropanamine
PubChem CID62449679
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[2-(4-ethoxyphenoxy)-3-methylbutyl]cyclopropanamine
SMILESCCOc1ccc(OC(CNC2CC2)C(C)C)cc1
InChIInChI=1S/C16H25NO2/c1-4-18-14-7-9-15(10-8-14)19-16(12(2)3)11-17-13-5-6-13/h7-10,12-13,16-17H,4-6,11H2,1-3H3
InChIKeyZMPHXPKEJJBNMX-UHFFFAOYSA-N
XLogP3.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-butylphenoxy)-3-methylbutyl]cyclopropanamine
CID 115493372
N-[2-(4-ethoxyphenoxy)propyl]cyclohexanamine
CID 62571326
N-[2-(4-ethoxyphenyl)-3-methylbutyl]cyclopropanamine
CID 66242807
N-[2-(4-propoxyphenoxy)propyl]cyclopropanamine
CID 62486929
2-(4-ethoxyphenoxy)-3-methylbutan-1-amine
CID 62451860
N-[2-(4-propoxyphenoxy)propyl]cyclopentanamine
CID 62597520
N-[2-(3-ethoxyphenoxy)propyl]cyclohexanamine
CID 62584741
N-[2-(2,4-difluorophenoxy)-3-methylbutyl]cyclopropanamine
CID 55077634
N-[[4-(4-ethoxyphenyl)phenyl]methyl]cyclopropanamine
CID 61025702
N-[2-(2-methoxy-4-methylphenoxy)-3-methylbutyl]cyclopropanamine
CID 62451021
N-[2-(2,5-difluorophenoxy)-3-methylbutyl]cyclopropanamine
CID 55167175
N-[2-(2-chloro-5-methylphenoxy)-3-methylbutyl]cyclopropanamine
CID 62485514

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenoxy)-3-methylbutyl]cyclopropanamine?
The IUPAC name of N-[2-(4-ethoxyphenoxy)-3-methylbutyl]cyclopropanamine (CID 62449679) is N-[2-(4-ethoxyphenoxy)-3-methylbutyl]cyclopropanamine.
What is the SMILES notation for N-[2-(4-ethoxyphenoxy)-3-methylbutyl]cyclopropanamine?
The canonical SMILES for N-[2-(4-ethoxyphenoxy)-3-methylbutyl]cyclopropanamine is CCOc1ccc(OC(CNC2CC2)C(C)C)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenoxy)-3-methylbutyl]cyclopropanamine?
The InChIKey is ZMPHXPKEJJBNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-18-14-7-9-15(10-8-14)19-16(12(2)3)11-17-13-5-6-13/h7-10,12-13,16-17H,4-6,11H2,1-3H3.
What are the key properties of N-[2-(4-ethoxyphenoxy)-3-methylbutyl]cyclopropanamine?
N-[2-(4-ethoxyphenoxy)-3-methylbutyl]cyclopropanamine has a molecular weight of 263.38 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenoxy)-3-methylbutyl]cyclopropanamine is sourced from PubChem (CID 62449679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).