2-[3-(1-aminocyclopropyl)phenyl]propan-1-ol

C12H17NO — CID 115018663

IUPAC2-[3-(1-aminocyclopropyl)phenyl]propan-1-ol
SMILESCC(CO)c1cccc(C2(N)CC2)c1
InChIInChI=1S/C12H17NO/c1-9(8-14)10-3-2-4-11(7-10)12(13)5-6-12/h2-4,7,9,14H,5-6,8,13H2,1H3
InChIKeyYOTLEGZHEIIVKF-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.73
Rot. Bonds3

About 2-[3-(1-aminocyclopropyl)phenyl]propan-1-ol

2-[3-(1-aminocyclopropyl)phenyl]propan-1-ol (PubChem CID 115018663) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-[3-(1-aminocyclopropyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-[3-(1-aminocyclopropyl)phenyl]propan-1-ol
PubChem CID115018663
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-[3-(1-aminocyclopropyl)phenyl]propan-1-ol
SMILESCC(CO)c1cccc(C2(N)CC2)c1
InChIInChI=1S/C12H17NO/c1-9(8-14)10-3-2-4-11(7-10)12(13)5-6-12/h2-4,7,9,14H,5-6,8,13H2,1H3
InChIKeyYOTLEGZHEIIVKF-UHFFFAOYSA-N
XLogP1.73
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-aminocyclopropyl)phenyl]propan-1-ol?
The IUPAC name of 2-[3-(1-aminocyclopropyl)phenyl]propan-1-ol (CID 115018663) is 2-[3-(1-aminocyclopropyl)phenyl]propan-1-ol.
What is the SMILES notation for 2-[3-(1-aminocyclopropyl)phenyl]propan-1-ol?
The canonical SMILES for 2-[3-(1-aminocyclopropyl)phenyl]propan-1-ol is CC(CO)c1cccc(C2(N)CC2)c1.
What is the InChIKey of 2-[3-(1-aminocyclopropyl)phenyl]propan-1-ol?
The InChIKey is YOTLEGZHEIIVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9(8-14)10-3-2-4-11(7-10)12(13)5-6-12/h2-4,7,9,14H,5-6,8,13H2,1H3.
What are the key properties of 2-[3-(1-aminocyclopropyl)phenyl]propan-1-ol?
2-[3-(1-aminocyclopropyl)phenyl]propan-1-ol has a molecular weight of 191.27 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-aminocyclopropyl)phenyl]propan-1-ol is sourced from PubChem (CID 115018663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).