1-(oxolan-2-yl)-N-[2-(3-propan-2-ylphenoxy)ethyl]ethanamine

C17H27NO2 — CID 62571805

IUPAC1-(oxolan-2-yl)-N-[2-(3-propan-2-ylphenoxy)ethyl]ethanamine
SMILESCC(C)c1cccc(OCCNC(C)C2CCCO2)c1
InChIInChI=1S/C17H27NO2/c1-13(2)15-6-4-7-16(12-15)19-11-9-18-14(3)17-8-5-10-20-17/h4,6-7,12-14,17-18H,5,8-11H2,1-3H3
InChIKeyGHGIQLPNMWOBAL-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.35
Rot. Bonds7

About 1-(oxolan-2-yl)-N-[2-(3-propan-2-ylphenoxy)ethyl]ethanamine

1-(oxolan-2-yl)-N-[2-(3-propan-2-ylphenoxy)ethyl]ethanamine (PubChem CID 62571805) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-N-[2-(3-propan-2-ylphenoxy)ethyl]ethanamine.

Molecular Properties

Compound Name1-(oxolan-2-yl)-N-[2-(3-propan-2-ylphenoxy)ethyl]ethanamine
PubChem CID62571805
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-(oxolan-2-yl)-N-[2-(3-propan-2-ylphenoxy)ethyl]ethanamine
SMILESCC(C)c1cccc(OCCNC(C)C2CCCO2)c1
InChIInChI=1S/C17H27NO2/c1-13(2)15-6-4-7-16(12-15)19-11-9-18-14(3)17-8-5-10-20-17/h4,6-7,12-14,17-18H,5,8-11H2,1-3H3
InChIKeyGHGIQLPNMWOBAL-UHFFFAOYSA-N
XLogP3.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,3-dichlorophenoxy)ethyl]-1-(oxolan-2-yl)ethanamine
CID 62598523
N-[2-(2-ethylphenoxy)ethyl]-1-(oxolan-2-yl)ethanamine
CID 62598642
N-[(3-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 60873140
3-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]butan-2-amine
CID 55088741
2-[3-(3-propan-2-ylphenoxy)propyl]oxane
CID 123154741
N'-(3-methoxyphenyl)-N'-methyl-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine
CID 62555855
N-[2-(3-propan-2-ylphenoxy)ethyl]oxane-4-carboxamide
CID 113100261
1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]ethanamine
CID 60696154
2-[(7-propan-2-ylnaphthalen-2-yl)oxymethyl]oxolane
CID 90144658
1-[1-(oxolan-2-yl)ethylamino]-3-phenoxypropan-2-ol
CID 54938328
3-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]butan-1-amine
CID 55088692

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-N-[2-(3-propan-2-ylphenoxy)ethyl]ethanamine?
The IUPAC name of 1-(oxolan-2-yl)-N-[2-(3-propan-2-ylphenoxy)ethyl]ethanamine (CID 62571805) is 1-(oxolan-2-yl)-N-[2-(3-propan-2-ylphenoxy)ethyl]ethanamine.
What is the SMILES notation for 1-(oxolan-2-yl)-N-[2-(3-propan-2-ylphenoxy)ethyl]ethanamine?
The canonical SMILES for 1-(oxolan-2-yl)-N-[2-(3-propan-2-ylphenoxy)ethyl]ethanamine is CC(C)c1cccc(OCCNC(C)C2CCCO2)c1.
What is the InChIKey of 1-(oxolan-2-yl)-N-[2-(3-propan-2-ylphenoxy)ethyl]ethanamine?
The InChIKey is GHGIQLPNMWOBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13(2)15-6-4-7-16(12-15)19-11-9-18-14(3)17-8-5-10-20-17/h4,6-7,12-14,17-18H,5,8-11H2,1-3H3.
What are the key properties of 1-(oxolan-2-yl)-N-[2-(3-propan-2-ylphenoxy)ethyl]ethanamine?
1-(oxolan-2-yl)-N-[2-(3-propan-2-ylphenoxy)ethyl]ethanamine has a molecular weight of 277.41 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-N-[2-(3-propan-2-ylphenoxy)ethyl]ethanamine is sourced from PubChem (CID 62571805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).