4-[(S)-amino(cyclopropyl)methyl]-2-ethoxyphenol;hydrochloride

C12H18ClNO2 — CID 171220383

IUPAC4-[(S)-amino(cyclopropyl)methyl]-2-ethoxyphenol;hydrochloride
SMILESCCOc1cc([C@@H](N)C2CC2)ccc1O.Cl
InChIInChI=1S/C12H17NO2.ClH/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;1H/t12-;/m0./s1
InChIKeyOGTNMSOXAWTFKW-YDALLXLXSA-N
MW243.73 g/mol
LogP2.62
Rot. Bonds4

About 4-[(S)-amino(cyclopropyl)methyl]-2-ethoxyphenol;hydrochloride

4-[(S)-amino(cyclopropyl)methyl]-2-ethoxyphenol;hydrochloride (PubChem CID 171220383) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 4-[(S)-amino(cyclopropyl)methyl]-2-ethoxyphenol;hydrochloride.

Molecular Properties

Compound Name4-[(S)-amino(cyclopropyl)methyl]-2-ethoxyphenol;hydrochloride
PubChem CID171220383
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name4-[(S)-amino(cyclopropyl)methyl]-2-ethoxyphenol;hydrochloride
SMILESCCOc1cc([C@@H](N)C2CC2)ccc1O.Cl
InChIInChI=1S/C12H17NO2.ClH/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;1H/t12-;/m0./s1
InChIKeyOGTNMSOXAWTFKW-YDALLXLXSA-N
XLogP2.62
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(R)-amino(cyclopropyl)methyl]-2-ethoxyphenol
CID 171200844
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
4-[(R)-amino(cyclopropyl)methyl]benzene-1,2-diol;hydrochloride
CID 171198097
4-[(1R)-1-aminopentyl]-2-ethoxyphenol;hydrochloride
CID 171200829
(S)-(4-ethoxy-3-methoxyphenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171243693
4-[(1R)-1-aminobut-3-enyl]-2-ethoxyphenol;hydrochloride
CID 171200827
4-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-2-ethoxyphenol;hydrochloride
CID 171312194
4-[(1S)-1-amino-3-methylbut-3-enyl]-2-ethoxyphenol;hydrochloride
CID 171220395
(R)-(3-ethoxy-4-methoxyphenyl)-piperidin-4-ylmethanamine
CID 171314559

Frequently Asked Questions

What is the IUPAC name of 4-[(S)-amino(cyclopropyl)methyl]-2-ethoxyphenol;hydrochloride?
The IUPAC name of 4-[(S)-amino(cyclopropyl)methyl]-2-ethoxyphenol;hydrochloride (CID 171220383) is 4-[(S)-amino(cyclopropyl)methyl]-2-ethoxyphenol;hydrochloride.
What is the SMILES notation for 4-[(S)-amino(cyclopropyl)methyl]-2-ethoxyphenol;hydrochloride?
The canonical SMILES for 4-[(S)-amino(cyclopropyl)methyl]-2-ethoxyphenol;hydrochloride is CCOc1cc([C@@H](N)C2CC2)ccc1O.Cl.
What is the InChIKey of 4-[(S)-amino(cyclopropyl)methyl]-2-ethoxyphenol;hydrochloride?
The InChIKey is OGTNMSOXAWTFKW-YDALLXLXSA-N. The full InChI is InChI=1S/C12H17NO2.ClH/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;1H/t12-;/m0./s1.
What are the key properties of 4-[(S)-amino(cyclopropyl)methyl]-2-ethoxyphenol;hydrochloride?
4-[(S)-amino(cyclopropyl)methyl]-2-ethoxyphenol;hydrochloride has a molecular weight of 243.73 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(S)-amino(cyclopropyl)methyl]-2-ethoxyphenol;hydrochloride is sourced from PubChem (CID 171220383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).