2-[(1R)-1-amino-2-cyclopropylethyl]-3-methoxyphenol

C12H17NO2 — CID 171216296

IUPAC2-[(1R)-1-amino-2-cyclopropylethyl]-3-methoxyphenol
SMILESCOc1cccc(O)c1[C@H](N)CC1CC1
InChIInChI=1S/C12H17NO2/c1-15-11-4-2-3-10(14)12(11)9(13)7-8-5-6-8/h2-4,8-9,14H,5-7,13H2,1H3/t9-/m1/s1
InChIKeyXZIIPNMGGWPNRP-SECBINFHSA-N
MW207.27 g/mol
LogP2.20
Rot. Bonds4

About 2-[(1R)-1-amino-2-cyclopropylethyl]-3-methoxyphenol

2-[(1R)-1-amino-2-cyclopropylethyl]-3-methoxyphenol (PubChem CID 171216296) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-[(1R)-1-amino-2-cyclopropylethyl]-3-methoxyphenol.

Molecular Properties

Compound Name2-[(1R)-1-amino-2-cyclopropylethyl]-3-methoxyphenol
PubChem CID171216296
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-[(1R)-1-amino-2-cyclopropylethyl]-3-methoxyphenol
SMILESCOc1cccc(O)c1[C@H](N)CC1CC1
InChIInChI=1S/C12H17NO2/c1-15-11-4-2-3-10(14)12(11)9(13)7-8-5-6-8/h2-4,8-9,14H,5-7,13H2,1H3/t9-/m1/s1
InChIKeyXZIIPNMGGWPNRP-SECBINFHSA-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

Computed Properties (RDKit)

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

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Related Compounds

(1R)-2-cyclopropyl-1-(2,6-dimethoxyphenyl)ethanamine;hydrochloride
CID 171201176
2-(1-amino-2-cyclopropylethyl)benzene-1,3-diol
CID 130061799
2-[(1S)-1-amino-2-cyclopropylethyl]-6-methoxyphenol;hydrochloride
CID 171231890
2-(1-amino-2-hydroxyethyl)-3-methoxyphenol
CID 77129655
2-[(1S)-1-aminopropyl]-3-methoxyphenol;hydrochloride
CID 171235918
2-[(S)-amino(cyclohexyl)methyl]-3-methoxyphenol
CID 171235941
2-[(1S)-1-aminobut-3-enyl]-3-methoxyphenol;hydrochloride
CID 171235923
(1R)-2-cyclopropyl-1-(2-methoxynaphthalen-1-yl)ethanamine;hydrochloride
CID 171212937
2-[(1S)-1-aminopent-4-enyl]-3-methoxyphenol
CID 171235946
2-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]-3-methoxyphenol;hydrochloride
CID 171266126
2-[(1R)-1-aminopentyl]-3-methoxyphenol;hydrochloride
CID 171216291
2-[(1R)-1-amino-4-hydroxybutyl]-3-methoxyphenol;hydrochloride
CID 171216328

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-2-cyclopropylethyl]-3-methoxyphenol?
The IUPAC name of 2-[(1R)-1-amino-2-cyclopropylethyl]-3-methoxyphenol (CID 171216296) is 2-[(1R)-1-amino-2-cyclopropylethyl]-3-methoxyphenol.
What is the SMILES notation for 2-[(1R)-1-amino-2-cyclopropylethyl]-3-methoxyphenol?
The canonical SMILES for 2-[(1R)-1-amino-2-cyclopropylethyl]-3-methoxyphenol is COc1cccc(O)c1[C@H](N)CC1CC1.
What is the InChIKey of 2-[(1R)-1-amino-2-cyclopropylethyl]-3-methoxyphenol?
The InChIKey is XZIIPNMGGWPNRP-SECBINFHSA-N. The full InChI is InChI=1S/C12H17NO2/c1-15-11-4-2-3-10(14)12(11)9(13)7-8-5-6-8/h2-4,8-9,14H,5-7,13H2,1H3/t9-/m1/s1.
What are the key properties of 2-[(1R)-1-amino-2-cyclopropylethyl]-3-methoxyphenol?
2-[(1R)-1-amino-2-cyclopropylethyl]-3-methoxyphenol 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 2-[(1R)-1-amino-2-cyclopropylethyl]-3-methoxyphenol is sourced from PubChem (CID 171216296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).