5-[(1S)-1-amino-2-cyclopropylethyl]-2-methylphenol

C12H17NO — CID 55295732

IUPAC5-[(1S)-1-amino-2-cyclopropylethyl]-2-methylphenol
SMILESCc1ccc([C@@H](N)CC2CC2)cc1O
InChIInChI=1S/C12H17NO/c1-8-2-5-10(7-12(8)14)11(13)6-9-3-4-9/h2,5,7,9,11,14H,3-4,6,13H2,1H3/t11-/m0/s1
InChIKeyVBGPMVXRLUXTDR-NSHDSACASA-N
MW191.27 g/mol
LogP2.50
Rot. Bonds3

About 5-[(1S)-1-amino-2-cyclopropylethyl]-2-methylphenol

5-[(1S)-1-amino-2-cyclopropylethyl]-2-methylphenol (PubChem CID 55295732) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 5-[(1S)-1-amino-2-cyclopropylethyl]-2-methylphenol.

Molecular Properties

Compound Name5-[(1S)-1-amino-2-cyclopropylethyl]-2-methylphenol
PubChem CID55295732
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name5-[(1S)-1-amino-2-cyclopropylethyl]-2-methylphenol
SMILESCc1ccc([C@@H](N)CC2CC2)cc1O
InChIInChI=1S/C12H17NO/c1-8-2-5-10(7-12(8)14)11(13)6-9-3-4-9/h2,5,7,9,11,14H,3-4,6,13H2,1H3/t11-/m0/s1
InChIKeyVBGPMVXRLUXTDR-NSHDSACASA-N
XLogP2.50
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-amino-2-cyclopropylethyl)-2-methylphenol
CID 55297167
(1R)-1-(3-bromo-4-methylphenyl)-2-cyclopropylethanamine
CID 130618346
2-cyclopropyl-1-(4-methylphenyl)ethanamine
CID 22649613
2-cyclobutyl-1-(3-fluoro-4-methylphenyl)ethanamine
CID 65459488
[4-[(1R)-1-amino-2-cyclopropylethyl]-2-hydroxyphenyl] acetate;hydrochloride
CID 171214100
3-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride
CID 171218055
1-(3-fluoro-4-methylphenyl)-2-(oxan-4-yl)ethanamine
CID 62601835
(1R)-2-cyclopropyl-1-(3,4-dimethoxyphenyl)ethanamine;hydrochloride
CID 171199341
(1R)-2-cyclopropyl-1-(4-fluorophenyl)ethanamine
CID 94248777
2-cyclopropyl-1-(4-fluorophenyl)ethanamine;hydrochloride
CID 131637709
2-(1-amino-2-cyclopropylethyl)benzene-1,3-diol
CID 130061799
(1S)-2-cyclopropyl-1-(4-ethylphenyl)ethanamine;hydrochloride
CID 171230824

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-amino-2-cyclopropylethyl]-2-methylphenol?
The IUPAC name of 5-[(1S)-1-amino-2-cyclopropylethyl]-2-methylphenol (CID 55295732) is 5-[(1S)-1-amino-2-cyclopropylethyl]-2-methylphenol.
What is the SMILES notation for 5-[(1S)-1-amino-2-cyclopropylethyl]-2-methylphenol?
The canonical SMILES for 5-[(1S)-1-amino-2-cyclopropylethyl]-2-methylphenol is Cc1ccc([C@@H](N)CC2CC2)cc1O.
What is the InChIKey of 5-[(1S)-1-amino-2-cyclopropylethyl]-2-methylphenol?
The InChIKey is VBGPMVXRLUXTDR-NSHDSACASA-N. The full InChI is InChI=1S/C12H17NO/c1-8-2-5-10(7-12(8)14)11(13)6-9-3-4-9/h2,5,7,9,11,14H,3-4,6,13H2,1H3/t11-/m0/s1.
What are the key properties of 5-[(1S)-1-amino-2-cyclopropylethyl]-2-methylphenol?
5-[(1S)-1-amino-2-cyclopropylethyl]-2-methylphenol has a molecular weight of 191.27 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-amino-2-cyclopropylethyl]-2-methylphenol is sourced from PubChem (CID 55295732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).