2-amino-1-[4-(1-methoxycyclopropyl)phenyl]ethanol

C12H17NO2 — CID 117115276

IUPAC2-amino-1-[4-(1-methoxycyclopropyl)phenyl]ethanol
SMILESCOC1(c2ccc(C(O)CN)cc2)CC1
InChIInChI=1S/C12H17NO2/c1-15-12(6-7-12)10-4-2-9(3-5-10)11(14)8-13/h2-5,11,14H,6-8,13H2,1H3
InChIKeyDQHMMUPAQSRTFR-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.31
Rot. Bonds4

About 2-amino-1-[4-(1-methoxycyclopropyl)phenyl]ethanol

2-amino-1-[4-(1-methoxycyclopropyl)phenyl]ethanol (PubChem CID 117115276) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-amino-1-[4-(1-methoxycyclopropyl)phenyl]ethanol.

Molecular Properties

Compound Name2-amino-1-[4-(1-methoxycyclopropyl)phenyl]ethanol
PubChem CID117115276
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-amino-1-[4-(1-methoxycyclopropyl)phenyl]ethanol
SMILESCOC1(c2ccc(C(O)CN)cc2)CC1
InChIInChI=1S/C12H17NO2/c1-15-12(6-7-12)10-4-2-9(3-5-10)11(14)8-13/h2-5,11,14H,6-8,13H2,1H3
InChIKeyDQHMMUPAQSRTFR-UHFFFAOYSA-N
XLogP1.31
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(1-methoxycyclopropyl)phenyl]ethanol?
The IUPAC name of 2-amino-1-[4-(1-methoxycyclopropyl)phenyl]ethanol (CID 117115276) is 2-amino-1-[4-(1-methoxycyclopropyl)phenyl]ethanol.
What is the SMILES notation for 2-amino-1-[4-(1-methoxycyclopropyl)phenyl]ethanol?
The canonical SMILES for 2-amino-1-[4-(1-methoxycyclopropyl)phenyl]ethanol is COC1(c2ccc(C(O)CN)cc2)CC1.
What is the InChIKey of 2-amino-1-[4-(1-methoxycyclopropyl)phenyl]ethanol?
The InChIKey is DQHMMUPAQSRTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-15-12(6-7-12)10-4-2-9(3-5-10)11(14)8-13/h2-5,11,14H,6-8,13H2,1H3.
What are the key properties of 2-amino-1-[4-(1-methoxycyclopropyl)phenyl]ethanol?
2-amino-1-[4-(1-methoxycyclopropyl)phenyl]ethanol has a molecular weight of 207.27 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(1-methoxycyclopropyl)phenyl]ethanol is sourced from PubChem (CID 117115276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).