1-(3-cyclopropyloxyphenyl)-2-(oxolan-2-yl)ethanamine

C15H21NO2 — CID 114521505

IUPAC1-(3-cyclopropyloxyphenyl)-2-(oxolan-2-yl)ethanamine
SMILESNC(CC1CCCO1)c1cccc(OC2CC2)c1
InChIInChI=1S/C15H21NO2/c16-15(10-13-5-2-8-17-13)11-3-1-4-14(9-11)18-12-6-7-12/h1,3-4,9,12-13,15H,2,5-8,10,16H2
InChIKeyMPGPGOCANPGQEG-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.80
Rot. Bonds5

About 1-(3-cyclopropyloxyphenyl)-2-(oxolan-2-yl)ethanamine

1-(3-cyclopropyloxyphenyl)-2-(oxolan-2-yl)ethanamine (PubChem CID 114521505) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(3-cyclopropyloxyphenyl)-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound Name1-(3-cyclopropyloxyphenyl)-2-(oxolan-2-yl)ethanamine
PubChem CID114521505
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-(3-cyclopropyloxyphenyl)-2-(oxolan-2-yl)ethanamine
SMILESNC(CC1CCCO1)c1cccc(OC2CC2)c1
InChIInChI=1S/C15H21NO2/c16-15(10-13-5-2-8-17-13)11-3-1-4-14(9-11)18-12-6-7-12/h1,3-4,9,12-13,15H,2,5-8,10,16H2
InChIKeyMPGPGOCANPGQEG-UHFFFAOYSA-N
XLogP2.80
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-cyclopropyloxyphenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105341126
[1-(3-cyclopropyloxyphenyl)-3-(oxan-2-yl)propyl]hydrazine
CID 105341075
(2S)-2-amino-2-(3-cyclopropyloxyphenyl)ethanol
CID 129319999
(1R)-1-(3-cyclopentyloxyphenyl)ethane-1,2-diamine
CID 66517730
(2R)-2-amino-2-[3-(oxolan-2-ylmethoxy)phenyl]ethanol
CID 66514852
1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanamine
CID 114521659
1-(3-cyclopropyloxyphenyl)-2-(3-ethoxycyclobutyl)ethanamine
CID 103169721
1-[3-(difluoromethoxy)phenyl]-4-(oxolan-2-yl)butan-1-amine
CID 104993455
1-(3-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine
CID 115785497
1-(3-methoxyphenyl)-N'-methyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61431727
1-(3-cyclopropyloxyphenyl)-3-phenylpropan-1-amine
CID 114521595
[2-(oxolan-2-yl)-1-(3-propan-2-yloxyphenyl)ethyl]hydrazine
CID 105198673

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyloxyphenyl)-2-(oxolan-2-yl)ethanamine?
The IUPAC name of 1-(3-cyclopropyloxyphenyl)-2-(oxolan-2-yl)ethanamine (CID 114521505) is 1-(3-cyclopropyloxyphenyl)-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for 1-(3-cyclopropyloxyphenyl)-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for 1-(3-cyclopropyloxyphenyl)-2-(oxolan-2-yl)ethanamine is NC(CC1CCCO1)c1cccc(OC2CC2)c1.
What is the InChIKey of 1-(3-cyclopropyloxyphenyl)-2-(oxolan-2-yl)ethanamine?
The InChIKey is MPGPGOCANPGQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c16-15(10-13-5-2-8-17-13)11-3-1-4-14(9-11)18-12-6-7-12/h1,3-4,9,12-13,15H,2,5-8,10,16H2.
What are the key properties of 1-(3-cyclopropyloxyphenyl)-2-(oxolan-2-yl)ethanamine?
1-(3-cyclopropyloxyphenyl)-2-(oxolan-2-yl)ethanamine has a molecular weight of 247.34 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyloxyphenyl)-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 114521505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).