1-(4-ethoxyphenyl)-2,2-dimethylcyclopropan-1-amine

C13H19NO — CID 83701496

IUPAC1-(4-ethoxyphenyl)-2,2-dimethylcyclopropan-1-amine
SMILESCCOc1ccc(C2(N)CC2(C)C)cc1
InChIInChI=1S/C13H19NO/c1-4-15-11-7-5-10(6-8-11)13(14)9-12(13,2)3/h5-8H,4,9,14H2,1-3H3
InChIKeyOPXQQHSWORLYFR-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.67
Rot. Bonds3

About 1-(4-ethoxyphenyl)-2,2-dimethylcyclopropan-1-amine

1-(4-ethoxyphenyl)-2,2-dimethylcyclopropan-1-amine (PubChem CID 83701496) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2,2-dimethylcyclopropan-1-amine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2,2-dimethylcyclopropan-1-amine
PubChem CID83701496
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-(4-ethoxyphenyl)-2,2-dimethylcyclopropan-1-amine
SMILESCCOc1ccc(C2(N)CC2(C)C)cc1
InChIInChI=1S/C13H19NO/c1-4-15-11-7-5-10(6-8-11)13(14)9-12(13,2)3/h5-8H,4,9,14H2,1-3H3
InChIKeyOPXQQHSWORLYFR-UHFFFAOYSA-N
XLogP2.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxyphenyl)cyclopent-3-en-1-amine
CID 65353108
2-(4-ethoxyphenyl)spiro[3.3]heptan-2-amine
CID 65009061
1-(4-ethoxyphenyl)-3-propan-2-ylcyclobutan-1-amine
CID 65016935
2-(4-ethoxyphenyl)-2-methyl-1,3-dioxolane
CID 82126602
[5-(4-ethoxyphenyl)spiro[2.3]hexan-5-yl]methanamine
CID 65008279
[2-(4-ethoxyphenyl)-2-methylcyclopropyl]methanol
CID 81358295
2-(4-ethoxyphenyl)-2-methylpyrrolidine
CID 66467822
[2-chloro-1-(4-ethoxyphenyl)cyclopropyl]methanamine
CID 54376856
3-(4-ethoxyphenyl)-2,2,3-trimethylpyrrolidine
CID 55063190
1-(4-ethoxyphenyl)-2-methylcyclopropan-1-ol
CID 79332202
3-(4-ethoxyphenyl)-4,4-dimethylthian-3-ol
CID 79955357
[2,2-dichloro-1-(4-ethoxyphenyl)cyclopropyl] formate
CID 57217478

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2,2-dimethylcyclopropan-1-amine?
The IUPAC name of 1-(4-ethoxyphenyl)-2,2-dimethylcyclopropan-1-amine (CID 83701496) is 1-(4-ethoxyphenyl)-2,2-dimethylcyclopropan-1-amine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2,2-dimethylcyclopropan-1-amine?
The canonical SMILES for 1-(4-ethoxyphenyl)-2,2-dimethylcyclopropan-1-amine is CCOc1ccc(C2(N)CC2(C)C)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2,2-dimethylcyclopropan-1-amine?
The InChIKey is OPXQQHSWORLYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-15-11-7-5-10(6-8-11)13(14)9-12(13,2)3/h5-8H,4,9,14H2,1-3H3.
What are the key properties of 1-(4-ethoxyphenyl)-2,2-dimethylcyclopropan-1-amine?
1-(4-ethoxyphenyl)-2,2-dimethylcyclopropan-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2,2-dimethylcyclopropan-1-amine is sourced from PubChem (CID 83701496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).