2-[(1S)-1-amino-2-cyclopropylethyl]-6-ethylphenol

C13H19NO — CID 171253881

IUPAC2-[(1S)-1-amino-2-cyclopropylethyl]-6-ethylphenol
SMILESCCc1cccc([C@@H](N)CC2CC2)c1O
InChIInChI=1S/C13H19NO/c1-2-10-4-3-5-11(13(10)15)12(14)8-9-6-7-9/h3-5,9,12,15H,2,6-8,14H2,1H3/t12-/m0/s1
InChIKeyLDAGTLAVKXRBBQ-LBPRGKRZSA-N
MW205.30 g/mol
LogP2.75
Rot. Bonds4

About 2-[(1S)-1-amino-2-cyclopropylethyl]-6-ethylphenol

2-[(1S)-1-amino-2-cyclopropylethyl]-6-ethylphenol (PubChem CID 171253881) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-[(1S)-1-amino-2-cyclopropylethyl]-6-ethylphenol.

Molecular Properties

Compound Name2-[(1S)-1-amino-2-cyclopropylethyl]-6-ethylphenol
PubChem CID171253881
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-[(1S)-1-amino-2-cyclopropylethyl]-6-ethylphenol
SMILESCCc1cccc([C@@H](N)CC2CC2)c1O
InChIInChI=1S/C13H19NO/c1-2-10-4-3-5-11(13(10)15)12(14)8-9-6-7-9/h3-5,9,12,15H,2,6-8,14H2,1H3/t12-/m0/s1
InChIKeyLDAGTLAVKXRBBQ-LBPRGKRZSA-N
XLogP2.75
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-[(1S)-1-amino-2-cyclopropylethyl]-2-ethylphenol
CID 165346025
2-[(1R)-1-amino-2-cyclopropylethyl]-6-ethoxyphenol
CID 171216016
2-[(1S)-1-amino-2-hydroxyethyl]-6-ethylphenol
CID 55262993
2-[(1R)-1,2-diaminoethyl]-6-ethylphenol
CID 66516119
2-(1-amino-2-cyclopropylethyl)-6-fluorophenol
CID 55268848
2-cyclopentyl-1-(2-ethylphenyl)ethanamine
CID 115847413
2-[(1R)-1,3-diaminopropyl]-6-ethylphenol
CID 171257230
2-[(1R)-1-amino-2-cyclopropylethyl]-6-chlorophenol;hydrochloride
CID 171204746
2-[(1S)-1-amino-2-cyclopropylethyl]-6-methoxyphenol;hydrochloride
CID 171231890
2-[(1R)-1-amino-3-hydroxypropyl]-6-ethylphenol
CID 171257210
2-[(1S)-1-aminobut-3-enyl]-6-ethylphenol;hydrochloride
CID 171253865
2-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride
CID 171220494

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-amino-2-cyclopropylethyl]-6-ethylphenol?
The IUPAC name of 2-[(1S)-1-amino-2-cyclopropylethyl]-6-ethylphenol (CID 171253881) is 2-[(1S)-1-amino-2-cyclopropylethyl]-6-ethylphenol.
What is the SMILES notation for 2-[(1S)-1-amino-2-cyclopropylethyl]-6-ethylphenol?
The canonical SMILES for 2-[(1S)-1-amino-2-cyclopropylethyl]-6-ethylphenol is CCc1cccc([C@@H](N)CC2CC2)c1O.
What is the InChIKey of 2-[(1S)-1-amino-2-cyclopropylethyl]-6-ethylphenol?
The InChIKey is LDAGTLAVKXRBBQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-10-4-3-5-11(13(10)15)12(14)8-9-6-7-9/h3-5,9,12,15H,2,6-8,14H2,1H3/t12-/m0/s1.
What are the key properties of 2-[(1S)-1-amino-2-cyclopropylethyl]-6-ethylphenol?
2-[(1S)-1-amino-2-cyclopropylethyl]-6-ethylphenol has a molecular weight of 205.30 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-amino-2-cyclopropylethyl]-6-ethylphenol is sourced from PubChem (CID 171253881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).