2-(cyclopropylmethoxy)-1-(4-propoxyphenyl)ethanamine

C15H23NO2 — CID 43211713

IUPAC2-(cyclopropylmethoxy)-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(N)COCC2CC2)cc1
InChIInChI=1S/C15H23NO2/c1-2-9-18-14-7-5-13(6-8-14)15(16)11-17-10-12-3-4-12/h5-8,12,15H,2-4,9-11,16H2,1H3
InChIKeyRYZPZAQOEABCAH-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.90
Rot. Bonds8

About 2-(cyclopropylmethoxy)-1-(4-propoxyphenyl)ethanamine

2-(cyclopropylmethoxy)-1-(4-propoxyphenyl)ethanamine (PubChem CID 43211713) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-1-(4-propoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-1-(4-propoxyphenyl)ethanamine
PubChem CID43211713
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-(cyclopropylmethoxy)-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(N)COCC2CC2)cc1
InChIInChI=1S/C15H23NO2/c1-2-9-18-14-7-5-13(6-8-14)15(16)11-17-10-12-3-4-12/h5-8,12,15H,2-4,9-11,16H2,1H3
InChIKeyRYZPZAQOEABCAH-UHFFFAOYSA-N
XLogP2.90
TPSA44.48 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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylmethoxy)-1-(4-propoxyphenyl)ethanamine
CID 66323892
2-butoxy-1-(4-propoxyphenyl)ethanamine
CID 43267600
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
2-(cyclopropylmethoxy)-1-(4-propan-2-ylphenyl)ethanamine
CID 43211666
2-cycloheptyl-1-(4-propoxyphenyl)ethanamine
CID 115853480
2-(cyclopentylmethoxy)-1-(4-methoxyphenyl)ethanamine
CID 66323024
2-(cyclohexylmethoxy)-1-(4-methoxyphenyl)ethanamine
CID 55066538
(1R)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 66516534
(4-ethylcyclohexyl)-(4-propoxyphenyl)methanamine
CID 65393938
1-(4-butoxyphenyl)-2-cyclopentylethanamine
CID 105139075
2-pentan-2-yloxy-1-(4-propoxyphenyl)ethanamine
CID 102981242
N'-cyclopentyl-N'-methyl-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 43267132

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-1-(4-propoxyphenyl)ethanamine?
The IUPAC name of 2-(cyclopropylmethoxy)-1-(4-propoxyphenyl)ethanamine (CID 43211713) is 2-(cyclopropylmethoxy)-1-(4-propoxyphenyl)ethanamine.
What is the SMILES notation for 2-(cyclopropylmethoxy)-1-(4-propoxyphenyl)ethanamine?
The canonical SMILES for 2-(cyclopropylmethoxy)-1-(4-propoxyphenyl)ethanamine is CCCOc1ccc(C(N)COCC2CC2)cc1.
What is the InChIKey of 2-(cyclopropylmethoxy)-1-(4-propoxyphenyl)ethanamine?
The InChIKey is RYZPZAQOEABCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-9-18-14-7-5-13(6-8-14)15(16)11-17-10-12-3-4-12/h5-8,12,15H,2-4,9-11,16H2,1H3.
What are the key properties of 2-(cyclopropylmethoxy)-1-(4-propoxyphenyl)ethanamine?
2-(cyclopropylmethoxy)-1-(4-propoxyphenyl)ethanamine has a molecular weight of 249.35 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-1-(4-propoxyphenyl)ethanamine is sourced from PubChem (CID 43211713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).