[2-[1-(1H-pyrrol-2-yl)ethoxy]phenyl]methanamine

C13H16N2O — CID 117052101

IUPAC[2-[1-(1H-pyrrol-2-yl)ethoxy]phenyl]methanamine
SMILESCC(Oc1ccccc1CN)c1ccc[nH]1
InChIInChI=1S/C13H16N2O/c1-10(12-6-4-8-15-12)16-13-7-3-2-5-11(13)9-14/h2-8,10,15H,9,14H2,1H3
InChIKeyPVPOXFGPPOQLDK-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.61
Rot. Bonds4

About [2-[1-(1H-pyrrol-2-yl)ethoxy]phenyl]methanamine

[2-[1-(1H-pyrrol-2-yl)ethoxy]phenyl]methanamine (PubChem CID 117052101) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is [2-[1-(1H-pyrrol-2-yl)ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[2-[1-(1H-pyrrol-2-yl)ethoxy]phenyl]methanamine
PubChem CID117052101
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name[2-[1-(1H-pyrrol-2-yl)ethoxy]phenyl]methanamine
SMILESCC(Oc1ccccc1CN)c1ccc[nH]1
InChIInChI=1S/C13H16N2O/c1-10(12-6-4-8-15-12)16-13-7-3-2-5-11(13)9-14/h2-8,10,15H,9,14H2,1H3
InChIKeyPVPOXFGPPOQLDK-UHFFFAOYSA-N
XLogP2.61
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[3-fluoro-4-[1-(1H-pyrrol-2-yl)ethoxy]phenyl]methanamine
CID 117096797
[2-(1-pyridin-4-ylethoxy)phenyl]methanamine
CID 82037250
[2-[1-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine
CID 117052114
2-(2-propan-2-yloxyphenyl)ethanamine
CID 22379502
2-[2-(1-thiophen-2-ylethoxy)phenyl]ethanamine
CID 82037470
4-[1-(2-ethylphenoxy)ethyl]aniline
CID 61261291
1-[2-(aminomethyl)phenoxy]propan-2-ol;hydrochloride
CID 54594731
2-[2-(aminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 43115833
[2-(dimethylaminooxy)phenyl]methanamine
CID 174902003
[2-(2-butan-2-yloxyethoxy)phenyl]methanamine
CID 60903164
2-(2-ethylphenoxy)pentan-1-amine
CID 83044721
N,2-dimethyl-1-(1H-pyrrol-2-yl)propane-1,3-diamine
CID 116948725

Frequently Asked Questions

What is the IUPAC name of [2-[1-(1H-pyrrol-2-yl)ethoxy]phenyl]methanamine?
The IUPAC name of [2-[1-(1H-pyrrol-2-yl)ethoxy]phenyl]methanamine (CID 117052101) is [2-[1-(1H-pyrrol-2-yl)ethoxy]phenyl]methanamine.
What is the SMILES notation for [2-[1-(1H-pyrrol-2-yl)ethoxy]phenyl]methanamine?
The canonical SMILES for [2-[1-(1H-pyrrol-2-yl)ethoxy]phenyl]methanamine is CC(Oc1ccccc1CN)c1ccc[nH]1.
What is the InChIKey of [2-[1-(1H-pyrrol-2-yl)ethoxy]phenyl]methanamine?
The InChIKey is PVPOXFGPPOQLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-10(12-6-4-8-15-12)16-13-7-3-2-5-11(13)9-14/h2-8,10,15H,9,14H2,1H3.
What are the key properties of [2-[1-(1H-pyrrol-2-yl)ethoxy]phenyl]methanamine?
[2-[1-(1H-pyrrol-2-yl)ethoxy]phenyl]methanamine has a molecular weight of 216.28 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(1H-pyrrol-2-yl)ethoxy]phenyl]methanamine is sourced from PubChem (CID 117052101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).