cis-(1S,3S)-3-(2,5-dimethoxyphenyl)-2,2-dimethylcyclopropan-1-amine

C13H19NO2 — CID 178197757

IUPACcis-(1S,3S)-3-(2,5-dimethoxyphenyl)-2,2-dimethylcyclopropan-1-amine
SMILESCOc1ccc(OC)c([C@H]2[C@H](N)C2(C)C)c1
InChIInChI=1S/C13H19NO2/c1-13(2)11(12(13)14)9-7-8(15-3)5-6-10(9)16-4/h5-7,11-12H,14H2,1-4H3/t11-,12-/m0/s1
InChIKeyUBSUAISLNNIXMG-RYUDHWBXSA-N
MW221.30 g/mol
LogP2.15
Rot. Bonds3

About cis-(1S,3S)-3-(2,5-dimethoxyphenyl)-2,2-dimethylcyclopropan-1-amine

cis-(1S,3S)-3-(2,5-dimethoxyphenyl)-2,2-dimethylcyclopropan-1-amine (PubChem CID 178197757) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is cis-(1S,3S)-3-(2,5-dimethoxyphenyl)-2,2-dimethylcyclopropan-1-amine.

Molecular Properties

Compound Namecis-(1S,3S)-3-(2,5-dimethoxyphenyl)-2,2-dimethylcyclopropan-1-amine
PubChem CID178197757
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Namecis-(1S,3S)-3-(2,5-dimethoxyphenyl)-2,2-dimethylcyclopropan-1-amine
SMILESCOc1ccc(OC)c([C@H]2[C@H](N)C2(C)C)c1
InChIInChI=1S/C13H19NO2/c1-13(2)11(12(13)14)9-7-8(15-3)5-6-10(9)16-4/h5-7,11-12H,14H2,1-4H3/t11-,12-/m0/s1
InChIKeyUBSUAISLNNIXMG-RYUDHWBXSA-N
XLogP2.15
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-4-methoxyphenol
CID 178197138
cis-(1S,3S)-3-(4-bromo-2-methoxyphenyl)-2,2-dimethylcyclopropan-1-amine
CID 178198119
3-(2,5-dimethoxyphenyl)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 81417833
[(1S,3S)-3-(2,4-dimethoxyphenyl)-2,2-dimethylcyclopropyl]methanamine
CID 178197960
2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-6-methoxyphenol
CID 178197018
3-(2,5-dimethoxyphenyl)cycloheptan-1-amine
CID 64505800
2-(2,5-dimethoxyphenyl)oxan-3-amine
CID 79364595
(1R)-1-[(1R,2S)-2-(2,5-dimethoxyphenyl)cyclopropyl]ethanamine
CID 29079123
2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-4-bromo-6-methoxyphenol
CID 178197131
2-(2,5-dimethoxyphenyl)azetidine
CID 55295985
3-(2,5-dimethoxyphenyl)piperidin-4-amine
CID 82621034
3-(2,5-dimethoxyphenyl)-3-methylcyclopentan-1-amine
CID 116538682

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3S)-3-(2,5-dimethoxyphenyl)-2,2-dimethylcyclopropan-1-amine?
The IUPAC name of cis-(1S,3S)-3-(2,5-dimethoxyphenyl)-2,2-dimethylcyclopropan-1-amine (CID 178197757) is cis-(1S,3S)-3-(2,5-dimethoxyphenyl)-2,2-dimethylcyclopropan-1-amine.
What is the SMILES notation for cis-(1S,3S)-3-(2,5-dimethoxyphenyl)-2,2-dimethylcyclopropan-1-amine?
The canonical SMILES for cis-(1S,3S)-3-(2,5-dimethoxyphenyl)-2,2-dimethylcyclopropan-1-amine is COc1ccc(OC)c([C@H]2[C@H](N)C2(C)C)c1.
What is the InChIKey of cis-(1S,3S)-3-(2,5-dimethoxyphenyl)-2,2-dimethylcyclopropan-1-amine?
The InChIKey is UBSUAISLNNIXMG-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H19NO2/c1-13(2)11(12(13)14)9-7-8(15-3)5-6-10(9)16-4/h5-7,11-12H,14H2,1-4H3/t11-,12-/m0/s1.
What are the key properties of cis-(1S,3S)-3-(2,5-dimethoxyphenyl)-2,2-dimethylcyclopropan-1-amine?
cis-(1S,3S)-3-(2,5-dimethoxyphenyl)-2,2-dimethylcyclopropan-1-amine has a molecular weight of 221.30 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3S)-3-(2,5-dimethoxyphenyl)-2,2-dimethylcyclopropan-1-amine is sourced from PubChem (CID 178197757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).