1-(3-cyclopropyloxyphenyl)-2-methoxypentan-1-amine

C15H23NO2 — CID 114522245

IUPAC1-(3-cyclopropyloxyphenyl)-2-methoxypentan-1-amine
SMILESCCCC(OC)C(N)c1cccc(OC2CC2)c1
InChIInChI=1S/C15H23NO2/c1-3-5-14(17-2)15(16)11-6-4-7-13(10-11)18-12-8-9-12/h4,6-7,10,12,14-15H,3,5,8-9,16H2,1-2H3
InChIKeyXGPSOSDYMYGOLG-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.04
Rot. Bonds7

About 1-(3-cyclopropyloxyphenyl)-2-methoxypentan-1-amine

1-(3-cyclopropyloxyphenyl)-2-methoxypentan-1-amine (PubChem CID 114522245) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(3-cyclopropyloxyphenyl)-2-methoxypentan-1-amine.

Molecular Properties

Compound Name1-(3-cyclopropyloxyphenyl)-2-methoxypentan-1-amine
PubChem CID114522245
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-(3-cyclopropyloxyphenyl)-2-methoxypentan-1-amine
SMILESCCCC(OC)C(N)c1cccc(OC2CC2)c1
InChIInChI=1S/C15H23NO2/c1-3-5-14(17-2)15(16)11-6-4-7-13(10-11)18-12-8-9-12/h4,6-7,10,12,14-15H,3,5,8-9,16H2,1-2H3
InChIKeyXGPSOSDYMYGOLG-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyclopropyloxyphenyl)-2-phenylbutan-1-amine
CID 105051796
1-(3-cyclopropyloxyphenyl)-2-ethoxy-N-methylpentan-1-amine
CID 114522243
2-cyclopropyl-1-(3-cyclopropyloxyphenyl)propan-1-amine
CID 105051847
1-(3-cyclopropyloxyphenyl)-2,2-dimethylbutan-1-amine
CID 105051843
1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanamine
CID 114521659
(2S)-2-amino-2-(3-cyclopropyloxyphenyl)ethanol
CID 129319999
ethyl 2-(3-cyclopentyloxyphenyl)-2-hydroxyacetate
CID 117415048
1-(3-cyclopropyloxyphenyl)-N-ethyloctan-1-amine
CID 105051902
1-(3-cyclopropyloxyphenyl)-3-propoxypropan-1-ol
CID 105131518
1-(3-cyclopropyloxyphenyl)-4-ethoxybutan-1-ol
CID 105131562
1-(3-cyclopropyloxyphenyl)-3-phenylpropan-1-amine
CID 114521595
[1-(3-cyclopropyloxyphenyl)-4-methylpentyl]hydrazine
CID 105207737

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyloxyphenyl)-2-methoxypentan-1-amine?
The IUPAC name of 1-(3-cyclopropyloxyphenyl)-2-methoxypentan-1-amine (CID 114522245) is 1-(3-cyclopropyloxyphenyl)-2-methoxypentan-1-amine.
What is the SMILES notation for 1-(3-cyclopropyloxyphenyl)-2-methoxypentan-1-amine?
The canonical SMILES for 1-(3-cyclopropyloxyphenyl)-2-methoxypentan-1-amine is CCCC(OC)C(N)c1cccc(OC2CC2)c1.
What is the InChIKey of 1-(3-cyclopropyloxyphenyl)-2-methoxypentan-1-amine?
The InChIKey is XGPSOSDYMYGOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-5-14(17-2)15(16)11-6-4-7-13(10-11)18-12-8-9-12/h4,6-7,10,12,14-15H,3,5,8-9,16H2,1-2H3.
What are the key properties of 1-(3-cyclopropyloxyphenyl)-2-methoxypentan-1-amine?
1-(3-cyclopropyloxyphenyl)-2-methoxypentan-1-amine has a molecular weight of 249.35 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyloxyphenyl)-2-methoxypentan-1-amine is sourced from PubChem (CID 114522245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).