N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(oxolan-2-yl)ethanamine

C17H25NO2 — CID 61040330

IUPACN-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(oxolan-2-yl)ethanamine
SMILESCOc1ccc(C(NCCC2CCCO2)C2CC2)cc1
InChIInChI=1S/C17H25NO2/c1-19-15-8-6-14(7-9-15)17(13-4-5-13)18-11-10-16-3-2-12-20-16/h6-9,13,16-18H,2-5,10-12H2,1H3
InChIKeyXLPASERDFJQZQK-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.31
Rot. Bonds7

About N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(oxolan-2-yl)ethanamine

N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(oxolan-2-yl)ethanamine (PubChem CID 61040330) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(oxolan-2-yl)ethanamine
PubChem CID61040330
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(oxolan-2-yl)ethanamine
SMILESCOc1ccc(C(NCCC2CCCO2)C2CC2)cc1
InChIInChI=1S/C17H25NO2/c1-19-15-8-6-14(7-9-15)17(13-4-5-13)18-11-10-16-3-2-12-20-16/h6-9,13,16-18H,2-5,10-12H2,1H3
InChIKeyXLPASERDFJQZQK-UHFFFAOYSA-N
XLogP3.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 65167488
1-(4-methoxyphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65160366
2-[3-bromo-3-(4-methoxyphenyl)propyl]oxolane
CID 65158211
N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 93040874
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 43768001
1-(4-methoxyphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 65167486
N'-[cyclopropyl-(4-methoxyphenyl)methyl]butane-1,4-diamine
CID 60894909
1-cyclopropyl-1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)methanamine
CID 43234864
1-(3,4-dimethoxyphenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 61039102
5-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]pentan-1-ol
CID 103714492
2-(4-methoxyphenyl)-2-(oxolan-2-ylmethylamino)ethanol
CID 61050567
2-[3-bromo-3-(4-methoxyphenyl)propyl]oxane
CID 63953795

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(oxolan-2-yl)ethanamine?
The IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(oxolan-2-yl)ethanamine (CID 61040330) is N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(oxolan-2-yl)ethanamine is COc1ccc(C(NCCC2CCCO2)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(oxolan-2-yl)ethanamine?
The InChIKey is XLPASERDFJQZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-19-15-8-6-14(7-9-15)17(13-4-5-13)18-11-10-16-3-2-12-20-16/h6-9,13,16-18H,2-5,10-12H2,1H3.
What are the key properties of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(oxolan-2-yl)ethanamine?
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(oxolan-2-yl)ethanamine has a molecular weight of 275.39 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 61040330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).