2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-6-methoxyphenol

C12H17NO2 — CID 178197018

IUPAC2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-6-methoxyphenol
SMILESCOc1cccc([C@H]2[C@H](N)C2(C)C)c1O
InChIInChI=1S/C12H17NO2/c1-12(2)9(11(12)13)7-5-4-6-8(15-3)10(7)14/h4-6,9,11,14H,13H2,1-3H3/t9-,11-/m0/s1
InChIKeyFLQSNQNBQUNZNX-ONGXEEELSA-N
MW207.27 g/mol
LogP1.85
Rot. Bonds2

About 2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-6-methoxyphenol

2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-6-methoxyphenol (PubChem CID 178197018) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-6-methoxyphenol
PubChem CID178197018
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-6-methoxyphenol
SMILESCOc1cccc([C@H]2[C@H](N)C2(C)C)c1O
InChIInChI=1S/C12H17NO2/c1-12(2)9(11(12)13)7-5-4-6-8(15-3)10(7)14/h4-6,9,11,14H,13H2,1-3H3/t9-,11-/m0/s1
InChIKeyFLQSNQNBQUNZNX-ONGXEEELSA-N
XLogP1.85
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-6-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-4-bromo-6-methoxyphenol
CID 178197131
2-methoxy-6-(3-methyloxiran-2-yl)phenol
CID 130036138
cis-(1S,3S)-3-(4-bromo-2-methoxyphenyl)-2,2-dimethylcyclopropan-1-amine
CID 178198119
2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-4-methoxyphenol
CID 178197138
2-methoxy-6-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol
CID 3035148
trans-(1S,3S)-3-(2-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 94768049
2,6-Dimethoxy-phenol boronic acid
CID 68597712
diethyl 4-(2-hydroxy-3-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 2748276
10,16-dimethoxypentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9(14),10,12,15(20),16,18-nonaene-3,6-diol
CID 132777321
2-(2-amino-1-hydroxyethyl)-6-methoxyphenol
CID 16768128
(4S)-4-(2-hydroxy-3-methoxyphenyl)imidazolidin-2-one
CID 131302642
5,7-diethyl-2-(2-hydroxy-3-methoxyphenyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
CID 4837208

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-6-methoxyphenol?
The IUPAC name of 2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-6-methoxyphenol (CID 178197018) is 2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-6-methoxyphenol.
What is the SMILES notation for 2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-6-methoxyphenol?
The canonical SMILES for 2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-6-methoxyphenol is COc1cccc([C@H]2[C@H](N)C2(C)C)c1O.
What is the InChIKey of 2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-6-methoxyphenol?
The InChIKey is FLQSNQNBQUNZNX-ONGXEEELSA-N. The full InChI is InChI=1S/C12H17NO2/c1-12(2)9(11(12)13)7-5-4-6-8(15-3)10(7)14/h4-6,9,11,14H,13H2,1-3H3/t9-,11-/m0/s1.
What are the key properties of 2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-6-methoxyphenol?
2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-6-methoxyphenol has a molecular weight of 207.27 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-6-methoxyphenol is sourced from PubChem (CID 178197018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).