[(1S,3S)-3-(2,4-dimethoxyphenyl)-2,2-dimethylcyclopropyl]methanamine

C14H21NO2 — CID 178197960

IUPAC[(1S,3S)-3-(2,4-dimethoxyphenyl)-2,2-dimethylcyclopropyl]methanamine
SMILESCOc1ccc([C@H]2[C@H](CN)C2(C)C)c(OC)c1
InChIInChI=1S/C14H21NO2/c1-14(2)11(8-15)13(14)10-6-5-9(16-3)7-12(10)17-4/h5-7,11,13H,8,15H2,1-4H3/t11-,13-/m0/s1
InChIKeyQJPIKPGPMKACPI-AAEUAGOBSA-N
MW235.33 g/mol
LogP2.40
Rot. Bonds4

About [(1S,3S)-3-(2,4-dimethoxyphenyl)-2,2-dimethylcyclopropyl]methanamine

[(1S,3S)-3-(2,4-dimethoxyphenyl)-2,2-dimethylcyclopropyl]methanamine (PubChem CID 178197960) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is [(1S,3S)-3-(2,4-dimethoxyphenyl)-2,2-dimethylcyclopropyl]methanamine.

Molecular Properties

Compound Name[(1S,3S)-3-(2,4-dimethoxyphenyl)-2,2-dimethylcyclopropyl]methanamine
PubChem CID178197960
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name[(1S,3S)-3-(2,4-dimethoxyphenyl)-2,2-dimethylcyclopropyl]methanamine
SMILESCOc1ccc([C@H]2[C@H](CN)C2(C)C)c(OC)c1
InChIInChI=1S/C14H21NO2/c1-14(2)11(8-15)13(14)10-6-5-9(16-3)7-12(10)17-4/h5-7,11,13H,8,15H2,1-4H3/t11-,13-/m0/s1
InChIKeyQJPIKPGPMKACPI-AAEUAGOBSA-N
XLogP2.40
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S,3S)-3-(4-ethoxy-2-methylphenyl)-2,2-dimethylcyclopropyl]methanamine
CID 178197114
[(1S,3S)-3-[2-methoxy-5-(trifluoromethyl)phenyl]-2,2-dimethylcyclopropyl]methanamine
CID 178197711
cis-(1S,3S)-3-(2,5-dimethoxyphenyl)-2,2-dimethylcyclopropan-1-amine
CID 178197757
3-(2,4-dimethoxyphenyl)-2,2-dimethylcyclobutan-1-ol
CID 81416329
trans-(1S,2R)-2-(2,4-dimethoxyphenyl)cyclopropan-1-amine
CID 39238725
[1-(2,4-dimethoxyphenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine
CID 117018796
cis-(1S,3S)-3-(4-bromo-2-methoxyphenyl)-2,2-dimethylcyclopropan-1-amine
CID 178198119
3-(2,4-dimethoxyphenyl)-2-ethyl-N,2-dimethylcyclobutan-1-amine
CID 81418351
[2-(2,4-dimethoxyphenyl)-4-propan-2-ylcyclohexyl]methanamine
CID 81012452
(3S,5S)-5-(2,4-dimethoxyphenyl)-3-methylthiomorpholin-2-one
CID 66748791
2-(2,4-dimethoxyphenyl)-3-[3-[2-(2,4-dimethoxyphenyl)-3-ethyloxetan-3-yl]propyl]-3-ethyloxetane
CID 58752975
[2-amino-5-(2,4-dimethoxyphenyl)-4-oxofuran-3-yl] acetate
CID 90081297

Frequently Asked Questions

What is the IUPAC name of [(1S,3S)-3-(2,4-dimethoxyphenyl)-2,2-dimethylcyclopropyl]methanamine?
The IUPAC name of [(1S,3S)-3-(2,4-dimethoxyphenyl)-2,2-dimethylcyclopropyl]methanamine (CID 178197960) is [(1S,3S)-3-(2,4-dimethoxyphenyl)-2,2-dimethylcyclopropyl]methanamine.
What is the SMILES notation for [(1S,3S)-3-(2,4-dimethoxyphenyl)-2,2-dimethylcyclopropyl]methanamine?
The canonical SMILES for [(1S,3S)-3-(2,4-dimethoxyphenyl)-2,2-dimethylcyclopropyl]methanamine is COc1ccc([C@H]2[C@H](CN)C2(C)C)c(OC)c1.
What is the InChIKey of [(1S,3S)-3-(2,4-dimethoxyphenyl)-2,2-dimethylcyclopropyl]methanamine?
The InChIKey is QJPIKPGPMKACPI-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H21NO2/c1-14(2)11(8-15)13(14)10-6-5-9(16-3)7-12(10)17-4/h5-7,11,13H,8,15H2,1-4H3/t11-,13-/m0/s1.
What are the key properties of [(1S,3S)-3-(2,4-dimethoxyphenyl)-2,2-dimethylcyclopropyl]methanamine?
[(1S,3S)-3-(2,4-dimethoxyphenyl)-2,2-dimethylcyclopropyl]methanamine has a molecular weight of 235.33 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S)-3-(2,4-dimethoxyphenyl)-2,2-dimethylcyclopropyl]methanamine is sourced from PubChem (CID 178197960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).