2-(oxan-4-yl)-2-(1H-pyrrol-3-yl)ethanamine

C11H18N2O — CID 83637307

IUPAC2-(oxan-4-yl)-2-(1H-pyrrol-3-yl)ethanamine
SMILESNCC(c1cc[nH]c1)C1CCOCC1
InChIInChI=1S/C11H18N2O/c12-7-11(10-1-4-13-8-10)9-2-5-14-6-3-9/h1,4,8-9,11,13H,2-3,5-7,12H2
InChIKeyFGNBQMITOXTZJU-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.48
Rot. Bonds3

About 2-(oxan-4-yl)-2-(1H-pyrrol-3-yl)ethanamine

2-(oxan-4-yl)-2-(1H-pyrrol-3-yl)ethanamine (PubChem CID 83637307) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-(oxan-4-yl)-2-(1H-pyrrol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(oxan-4-yl)-2-(1H-pyrrol-3-yl)ethanamine
PubChem CID83637307
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-(oxan-4-yl)-2-(1H-pyrrol-3-yl)ethanamine
SMILESNCC(c1cc[nH]c1)C1CCOCC1
InChIInChI=1S/C11H18N2O/c12-7-11(10-1-4-13-8-10)9-2-5-14-6-3-9/h1,4,8-9,11,13H,2-3,5-7,12H2
InChIKeyFGNBQMITOXTZJU-UHFFFAOYSA-N
XLogP1.48
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(oxan-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
CID 129409499
3-[2-amino-1-(oxolan-3-yl)ethyl]phenol
CID 105460621
2-(3-methylthiophen-2-yl)-2-(oxan-4-yl)ethanamine
CID 83823387
2-(3-fluorophenyl)-2-(oxolan-3-yl)ethanamine
CID 83820646
2-fluoro-2-(oxan-4-yl)ethanamine
CID 112562633
(S)-cyclopropyl(1H-pyrrol-3-yl)methanol
CID 141285307
2-cyclopropyl-2-phenylethanamine;hydrochloride
CID 57365234
4-(1-phenylpropyl)oxane
CID 155461106
2-cyclopropyl-2-(4-propan-2-ylphenyl)ethanamine
CID 82024028
1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(1H-pyrrol-3-yl)methanamine
CID 116913048
2-phenyl-2-piperidin-4-ylethanamine;hydrochloride
CID 67691179
2-cyclobutyl-1-(1H-pyrrol-3-yl)ethanol
CID 103165459

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-2-(1H-pyrrol-3-yl)ethanamine?
The IUPAC name of 2-(oxan-4-yl)-2-(1H-pyrrol-3-yl)ethanamine (CID 83637307) is 2-(oxan-4-yl)-2-(1H-pyrrol-3-yl)ethanamine.
What is the SMILES notation for 2-(oxan-4-yl)-2-(1H-pyrrol-3-yl)ethanamine?
The canonical SMILES for 2-(oxan-4-yl)-2-(1H-pyrrol-3-yl)ethanamine is NCC(c1cc[nH]c1)C1CCOCC1.
What is the InChIKey of 2-(oxan-4-yl)-2-(1H-pyrrol-3-yl)ethanamine?
The InChIKey is FGNBQMITOXTZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c12-7-11(10-1-4-13-8-10)9-2-5-14-6-3-9/h1,4,8-9,11,13H,2-3,5-7,12H2.
What are the key properties of 2-(oxan-4-yl)-2-(1H-pyrrol-3-yl)ethanamine?
2-(oxan-4-yl)-2-(1H-pyrrol-3-yl)ethanamine has a molecular weight of 194.28 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-2-(1H-pyrrol-3-yl)ethanamine is sourced from PubChem (CID 83637307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).