3-amino-2-(3-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-ol

C17H27NO2 — CID 66478468

IUPAC3-amino-2-(3-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-ol
SMILESCOc1cccc(C(CN)C(O)C2C(C)(C)C2(C)C)c1
InChIInChI=1S/C17H27NO2/c1-16(2)15(17(16,3)4)14(19)13(10-18)11-7-6-8-12(9-11)20-5/h6-9,13-15,19H,10,18H2,1-5H3
InChIKeyJILDNVUIFQANOF-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.78
Rot. Bonds5

About 3-amino-2-(3-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-ol

3-amino-2-(3-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-ol (PubChem CID 66478468) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-amino-2-(3-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-ol
PubChem CID66478468
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name3-amino-2-(3-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-ol
SMILESCOc1cccc(C(CN)C(O)C2C(C)(C)C2(C)C)c1
InChIInChI=1S/C17H27NO2/c1-16(2)15(17(16,3)4)14(19)13(10-18)11-7-6-8-12(9-11)20-5/h6-9,13-15,19H,10,18H2,1-5H3
InChIKeyJILDNVUIFQANOF-UHFFFAOYSA-N
XLogP2.78
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-ol?
The IUPAC name of 3-amino-2-(3-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-ol (CID 66478468) is 3-amino-2-(3-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(3-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-ol?
The canonical SMILES for 3-amino-2-(3-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-ol is COc1cccc(C(CN)C(O)C2C(C)(C)C2(C)C)c1.
What is the InChIKey of 3-amino-2-(3-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-ol?
The InChIKey is JILDNVUIFQANOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-16(2)15(17(16,3)4)14(19)13(10-18)11-7-6-8-12(9-11)20-5/h6-9,13-15,19H,10,18H2,1-5H3.
What are the key properties of 3-amino-2-(3-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-ol?
3-amino-2-(3-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-ol is sourced from PubChem (CID 66478468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).