2-cyclopropyl-2-methoxy-1-(2-propoxyphenyl)ethanamine

C15H23NO2 — CID 116721965

IUPAC2-cyclopropyl-2-methoxy-1-(2-propoxyphenyl)ethanamine
SMILESCCCOc1ccccc1C(N)C(OC)C1CC1
InChIInChI=1S/C15H23NO2/c1-3-10-18-13-7-5-4-6-12(13)14(16)15(17-2)11-8-9-11/h4-7,11,14-15H,3,8-10,16H2,1-2H3
InChIKeyJAHPFZPPYUAZIF-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.90
Rot. Bonds7

About 2-cyclopropyl-2-methoxy-1-(2-propoxyphenyl)ethanamine

2-cyclopropyl-2-methoxy-1-(2-propoxyphenyl)ethanamine (PubChem CID 116721965) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-cyclopropyl-2-methoxy-1-(2-propoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-cyclopropyl-2-methoxy-1-(2-propoxyphenyl)ethanamine
PubChem CID116721965
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-cyclopropyl-2-methoxy-1-(2-propoxyphenyl)ethanamine
SMILESCCCOc1ccccc1C(N)C(OC)C1CC1
InChIInChI=1S/C15H23NO2/c1-3-10-18-13-7-5-4-6-12(13)14(16)15(17-2)11-8-9-11/h4-7,11,14-15H,3,8-10,16H2,1-2H3
InChIKeyJAHPFZPPYUAZIF-UHFFFAOYSA-N
XLogP2.90
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

(1R)-2-methyl-1-(2-propoxyphenyl)propan-1-amine;hydrochloride
CID 175653806
2-cyclohexyl-2-ethoxy-1-(2-ethoxyphenyl)ethanamine
CID 116771976
1-cyclopropyl-2-(2-propoxyphenoxy)ethanamine
CID 63913161
2-fluoro-2-(2-propoxyphenyl)ethanamine
CID 104663546
2-ethoxy-1-(2-propoxyphenyl)ethanamine
CID 104660329
[2-cyclopropyl-2-methoxy-1-(2-methoxyphenyl)ethyl]hydrazine
CID 105272624
2-methoxy-1-(2-propoxyphenyl)propan-1-ol
CID 104659647
(2-ethylphenyl)-(2-propoxyphenyl)methanamine
CID 105035937
[(4,4-difluorocyclohexyl)-(2-propoxyphenyl)methyl]hydrazine
CID 105334414
N-[3-(2-propoxyphenyl)butan-2-yl]cyclopropanamine
CID 104662486
1-[2-(2-methoxyethoxy)phenyl]-2-methylpentan-1-amine
CID 105035286
1-(2-propoxyphenyl)ethanol
CID 43503976

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-methoxy-1-(2-propoxyphenyl)ethanamine?
The IUPAC name of 2-cyclopropyl-2-methoxy-1-(2-propoxyphenyl)ethanamine (CID 116721965) is 2-cyclopropyl-2-methoxy-1-(2-propoxyphenyl)ethanamine.
What is the SMILES notation for 2-cyclopropyl-2-methoxy-1-(2-propoxyphenyl)ethanamine?
The canonical SMILES for 2-cyclopropyl-2-methoxy-1-(2-propoxyphenyl)ethanamine is CCCOc1ccccc1C(N)C(OC)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-methoxy-1-(2-propoxyphenyl)ethanamine?
The InChIKey is JAHPFZPPYUAZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-10-18-13-7-5-4-6-12(13)14(16)15(17-2)11-8-9-11/h4-7,11,14-15H,3,8-10,16H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-methoxy-1-(2-propoxyphenyl)ethanamine?
2-cyclopropyl-2-methoxy-1-(2-propoxyphenyl)ethanamine has a molecular weight of 249.35 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-methoxy-1-(2-propoxyphenyl)ethanamine is sourced from PubChem (CID 116721965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).