N-[2-(4-propoxyphenoxy)propyl]cyclopropanamine

C15H23NO2 — CID 62486929

IUPACN-[2-(4-propoxyphenoxy)propyl]cyclopropanamine
SMILESCCCOc1ccc(OC(C)CNC2CC2)cc1
InChIInChI=1S/C15H23NO2/c1-3-10-17-14-6-8-15(9-7-14)18-12(2)11-16-13-4-5-13/h6-9,12-13,16H,3-5,10-11H2,1-2H3
InChIKeyIVXXAHXQGGQAAU-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.99
Rot. Bonds8

About N-[2-(4-propoxyphenoxy)propyl]cyclopropanamine

N-[2-(4-propoxyphenoxy)propyl]cyclopropanamine (PubChem CID 62486929) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[2-(4-propoxyphenoxy)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4-propoxyphenoxy)propyl]cyclopropanamine
PubChem CID62486929
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[2-(4-propoxyphenoxy)propyl]cyclopropanamine
SMILESCCCOc1ccc(OC(C)CNC2CC2)cc1
InChIInChI=1S/C15H23NO2/c1-3-10-17-14-6-8-15(9-7-14)18-12(2)11-16-13-4-5-13/h6-9,12-13,16H,3-5,10-11H2,1-2H3
InChIKeyIVXXAHXQGGQAAU-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-propoxyphenoxy)propyl]cyclopentanamine
CID 62597520
N-[2-(4-ethoxyphenoxy)propyl]cyclohexanamine
CID 62571326
N-[2-(4-propylphenoxy)propyl]cyclohexanamine
CID 63515427
N-[2-(4-ethylphenoxy)propyl]cyclohexanamine
CID 54797687
N-[2-(4-methylphenoxy)propyl]cyclohexanamine
CID 54797714
N-[2-(4-chlorophenoxy)propyl]cyclohexanamine
CID 46736216
N-[2-(4-ethoxyphenoxy)-3-methylbutyl]cyclopropanamine
CID 62449679
N-[2-(3-fluoro-4-methylphenoxy)propyl]cyclopropanamine
CID 107170738
N-(2-propoxypropyl)cyclopropanamine
CID 62451872
3-methyl-N-[2-(4-propoxyphenoxy)propyl]butan-1-amine
CID 63517499
1-propan-2-yloxy-4-propoxybenzene
CID 57276091
N-[2-(3,5-difluorophenoxy)propyl]cyclopropanamine
CID 62783803

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-propoxyphenoxy)propyl]cyclopropanamine?
The IUPAC name of N-[2-(4-propoxyphenoxy)propyl]cyclopropanamine (CID 62486929) is N-[2-(4-propoxyphenoxy)propyl]cyclopropanamine.
What is the SMILES notation for N-[2-(4-propoxyphenoxy)propyl]cyclopropanamine?
The canonical SMILES for N-[2-(4-propoxyphenoxy)propyl]cyclopropanamine is CCCOc1ccc(OC(C)CNC2CC2)cc1.
What is the InChIKey of N-[2-(4-propoxyphenoxy)propyl]cyclopropanamine?
The InChIKey is IVXXAHXQGGQAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-10-17-14-6-8-15(9-7-14)18-12(2)11-16-13-4-5-13/h6-9,12-13,16H,3-5,10-11H2,1-2H3.
What are the key properties of N-[2-(4-propoxyphenoxy)propyl]cyclopropanamine?
N-[2-(4-propoxyphenoxy)propyl]cyclopropanamine has a molecular weight of 249.35 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-propoxyphenoxy)propyl]cyclopropanamine is sourced from PubChem (CID 62486929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).