4-(1-amino-2-cyclopropylethyl)-2-methylphenol

C12H17NO — CID 55297167

IUPAC4-(1-amino-2-cyclopropylethyl)-2-methylphenol
SMILESCc1cc(C(N)CC2CC2)ccc1O
InChIInChI=1S/C12H17NO/c1-8-6-10(4-5-12(8)14)11(13)7-9-2-3-9/h4-6,9,11,14H,2-3,7,13H2,1H3
InChIKeyZGTXUCWFZXWBJF-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.50
Rot. Bonds3

About 4-(1-amino-2-cyclopropylethyl)-2-methylphenol

4-(1-amino-2-cyclopropylethyl)-2-methylphenol (PubChem CID 55297167) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 4-(1-amino-2-cyclopropylethyl)-2-methylphenol.

Molecular Properties

Compound Name4-(1-amino-2-cyclopropylethyl)-2-methylphenol
PubChem CID55297167
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name4-(1-amino-2-cyclopropylethyl)-2-methylphenol
SMILESCc1cc(C(N)CC2CC2)ccc1O
InChIInChI=1S/C12H17NO/c1-8-6-10(4-5-12(8)14)11(13)7-9-2-3-9/h4-6,9,11,14H,2-3,7,13H2,1H3
InChIKeyZGTXUCWFZXWBJF-UHFFFAOYSA-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

5-[(1S)-1-amino-2-cyclopropylethyl]-2-methylphenol
CID 55295732
(1R)-1-(3-bromo-4-methylphenyl)-2-cyclopropylethanamine
CID 130618346
4-[(1S)-1,2-diaminoethyl]-2-methylphenol;hydrochloride
CID 171213095
2-cyclopropyl-1-(4-methylphenyl)ethanamine
CID 22649613
4-(1-amino-3-hydroxypropyl)-2-methylphenol
CID 55282245
4-[(R)-amino(cyclopentyl)methyl]-2-methylphenol;hydrochloride
CID 171213118
4-[(1S)-1-aminopentyl]-2-methylphenol
CID 171145513
4-[(1R)-1-amino-3-methylbut-3-enyl]-2-methylphenol
CID 131361575
3-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride
CID 171218055
2-cyclobutyl-1-(3-fluoro-4-methylphenyl)ethanamine
CID 65459488
[4-[(1R)-1-amino-2-cyclopropylethyl]-2-hydroxyphenyl] acetate;hydrochloride
CID 171214100
4-[(1R)-1-aminoethyl]-2-methylphenol
CID 59272894

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2-cyclopropylethyl)-2-methylphenol?
The IUPAC name of 4-(1-amino-2-cyclopropylethyl)-2-methylphenol (CID 55297167) is 4-(1-amino-2-cyclopropylethyl)-2-methylphenol.
What is the SMILES notation for 4-(1-amino-2-cyclopropylethyl)-2-methylphenol?
The canonical SMILES for 4-(1-amino-2-cyclopropylethyl)-2-methylphenol is Cc1cc(C(N)CC2CC2)ccc1O.
What is the InChIKey of 4-(1-amino-2-cyclopropylethyl)-2-methylphenol?
The InChIKey is ZGTXUCWFZXWBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-8-6-10(4-5-12(8)14)11(13)7-9-2-3-9/h4-6,9,11,14H,2-3,7,13H2,1H3.
What are the key properties of 4-(1-amino-2-cyclopropylethyl)-2-methylphenol?
4-(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 4-(1-amino-2-cyclopropylethyl)-2-methylphenol is sourced from PubChem (CID 55297167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).