2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-4-methoxyphenol

C12H17NO2 — CID 178197138

IUPAC2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-4-methoxyphenol
SMILESCOc1ccc(O)c([C@H]2[C@H](N)C2(C)C)c1
InChIInChI=1S/C12H17NO2/c1-12(2)10(11(12)13)8-6-7(15-3)4-5-9(8)14/h4-6,10-11,14H,13H2,1-3H3/t10-,11-/m0/s1
InChIKeyCBUJLJCTJCZURL-QWRGUYRKSA-N
MW207.27 g/mol
LogP1.85
Rot. Bonds2

About 2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-4-methoxyphenol

2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-4-methoxyphenol (PubChem CID 178197138) 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]-4-methoxyphenol.

Molecular Properties

Compound Name2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-4-methoxyphenol
PubChem CID178197138
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-4-methoxyphenol
SMILESCOc1ccc(O)c([C@H]2[C@H](N)C2(C)C)c1
InChIInChI=1S/C12H17NO2/c1-12(2)10(11(12)13)8-6-7(15-3)4-5-9(8)14/h4-6,10-11,14H,13H2,1-3H3/t10-,11-/m0/s1
InChIKeyCBUJLJCTJCZURL-QWRGUYRKSA-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

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Related Compounds

cis-(1S,3S)-3-(2,5-dimethoxyphenyl)-2,2-dimethylcyclopropan-1-amine
CID 178197757
4-methoxy-2-(oxaziridin-3-yl)phenol
CID 174408639
2-[(2S)-azetidin-2-yl]-4-methoxyphenol;hydrochloride
CID 171196735
2-cyclopent-2-en-1-yl-4-methoxyphenol
CID 12507154
2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-4-bromo-6-methoxyphenol
CID 178197131
4-methoxy-2-[(2S)-piperidin-2-yl]phenol
CID 131531573
4-methoxy-2-[(2R)-piperidin-2-yl]phenol
CID 131513044
(4R)-4-amino-6-methoxy-2,2-dimethyl-3,4-dihydronaphthalen-1-one
CID 124562773
2-(1,2-diaminoethyl)-4-methoxyphenol
CID 55282717
2-[(1R,2S)-2-amino-1-hydroxypropyl]-4-methoxyphenol
CID 130898802
(2-hydroxy-5-methoxyphenyl)methanediol
CID 69473075
2-[(dimethylamino)methyl]-4-methoxyphenol
CID 12561113

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-4-methoxyphenol?
The IUPAC name of 2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-4-methoxyphenol (CID 178197138) is 2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-4-methoxyphenol.
What is the SMILES notation for 2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-4-methoxyphenol?
The canonical SMILES for 2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-4-methoxyphenol is COc1ccc(O)c([C@H]2[C@H](N)C2(C)C)c1.
What is the InChIKey of 2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-4-methoxyphenol?
The InChIKey is CBUJLJCTJCZURL-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H17NO2/c1-12(2)10(11(12)13)8-6-7(15-3)4-5-9(8)14/h4-6,10-11,14H,13H2,1-3H3/t10-,11-/m0/s1.
What are the key properties of 2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-4-methoxyphenol?
2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-4-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]-4-methoxyphenol is sourced from PubChem (CID 178197138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).