4-[(R)-amino(cyclopropyl)methyl]-2-ethoxyphenol

C12H17NO2 — CID 171200844

IUPAC4-[(R)-amino(cyclopropyl)methyl]-2-ethoxyphenol
SMILESCCOc1cc([C@H](N)C2CC2)ccc1O
InChIInChI=1S/C12H17NO2/c1-2-15-11-7-9(5-6-10(11)14)12(13)8-3-4-8/h5-8,12,14H,2-4,13H2,1H3/t12-/m1/s1
InChIKeyVGQVIAGLNYJAEB-GFCCVEGCSA-N
MW207.27 g/mol
LogP2.20
Rot. Bonds4

About 4-[(R)-amino(cyclopropyl)methyl]-2-ethoxyphenol

4-[(R)-amino(cyclopropyl)methyl]-2-ethoxyphenol (PubChem CID 171200844) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 4-[(R)-amino(cyclopropyl)methyl]-2-ethoxyphenol.

Molecular Properties

Compound Name4-[(R)-amino(cyclopropyl)methyl]-2-ethoxyphenol
PubChem CID171200844
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name4-[(R)-amino(cyclopropyl)methyl]-2-ethoxyphenol
SMILESCCOc1cc([C@H](N)C2CC2)ccc1O
InChIInChI=1S/C12H17NO2/c1-2-15-11-7-9(5-6-10(11)14)12(13)8-3-4-8/h5-8,12,14H,2-4,13H2,1H3/t12-/m1/s1
InChIKeyVGQVIAGLNYJAEB-GFCCVEGCSA-N
XLogP2.20
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(S)-amino(cyclopropyl)methyl]-2-ethoxyphenol;hydrochloride
CID 171220383
4-[(R)-amino(piperidin-4-yl)methyl]-2-ethoxyphenol;hydrochloride
CID 171314179
(S)-cyclopropyl-(4-ethoxy-3-methoxyphenyl)methanamine
CID 171231843
4-[(R)-amino(cyclopropyl)methyl]-2-bromo-6-ethoxyphenol;hydrochloride
CID 171207484
(S)-cyclopropyl-(3-ethoxy-4-phenylmethoxyphenyl)methanamine;hydrochloride
CID 171230032
(R)-(3-ethoxy-4-methoxyphenyl)-piperidin-4-ylmethanamine
CID 171314559
4-[(R)-amino(cyclopropyl)methyl]benzene-1,2-diol;hydrochloride
CID 171198097
5-[(R)-amino(cyclopropyl)methyl]-2-methoxyphenol
CID 55254634
4-[(1R)-1-aminopentyl]-2-ethoxyphenol;hydrochloride
CID 171200829
4-[(1R)-1-aminohexyl]-2-ethoxyphenol
CID 171200830
(S)-(4-ethoxy-3-methoxyphenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171243693
4-[(1R)-1-aminobut-3-enyl]-2-ethoxyphenol;hydrochloride
CID 171200827

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-amino(cyclopropyl)methyl]-2-ethoxyphenol?
The IUPAC name of 4-[(R)-amino(cyclopropyl)methyl]-2-ethoxyphenol (CID 171200844) is 4-[(R)-amino(cyclopropyl)methyl]-2-ethoxyphenol.
What is the SMILES notation for 4-[(R)-amino(cyclopropyl)methyl]-2-ethoxyphenol?
The canonical SMILES for 4-[(R)-amino(cyclopropyl)methyl]-2-ethoxyphenol is CCOc1cc([C@H](N)C2CC2)ccc1O.
What is the InChIKey of 4-[(R)-amino(cyclopropyl)methyl]-2-ethoxyphenol?
The InChIKey is VGQVIAGLNYJAEB-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H17NO2/c1-2-15-11-7-9(5-6-10(11)14)12(13)8-3-4-8/h5-8,12,14H,2-4,13H2,1H3/t12-/m1/s1.
What are the key properties of 4-[(R)-amino(cyclopropyl)methyl]-2-ethoxyphenol?
4-[(R)-amino(cyclopropyl)methyl]-2-ethoxyphenol has a molecular weight of 207.27 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-amino(cyclopropyl)methyl]-2-ethoxyphenol is sourced from PubChem (CID 171200844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).