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

C13H19NO2 — CID 117108149

IUPAC1-[4-(1-methoxycyclopropyl)phenyl]-2-(methylamino)ethanol
SMILESCNCC(O)c1ccc(C2(OC)CC2)cc1
InChIInChI=1S/C13H19NO2/c1-14-9-12(15)10-3-5-11(6-4-10)13(16-2)7-8-13/h3-6,12,14-15H,7-9H2,1-2H3
InChIKeyMBNRCJUTHYWMHH-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.57
Rot. Bonds5

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

1-[4-(1-methoxycyclopropyl)phenyl]-2-(methylamino)ethanol (PubChem CID 117108149) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[4-(1-methoxycyclopropyl)phenyl]-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-[4-(1-methoxycyclopropyl)phenyl]-2-(methylamino)ethanol
PubChem CID117108149
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-[4-(1-methoxycyclopropyl)phenyl]-2-(methylamino)ethanol
SMILESCNCC(O)c1ccc(C2(OC)CC2)cc1
InChIInChI=1S/C13H19NO2/c1-14-9-12(15)10-3-5-11(6-4-10)13(16-2)7-8-13/h3-6,12,14-15H,7-9H2,1-2H3
InChIKeyMBNRCJUTHYWMHH-UHFFFAOYSA-N
XLogP1.57
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[4-(1-methoxycyclopropyl)phenyl]ethanol
CID 117115276
ethyl 2-hydroxy-2-[4-(1-methoxycyclopropyl)phenyl]acetate
CID 117108759
1-[4-(1-methoxycyclopropyl)phenyl]-2-(methylamino)ethanone
CID 117108267
(1S)-1-(4-bromophenyl)-2-(methylamino)ethanol
CID 39247728
1-[4-(4,4-dimethylcyclohexyl)phenyl]-2-(methylamino)ethanol
CID 117408766
4-[1-hydroxy-2-(methylamino)ethyl]benzonitrile
CID 60904428
2-(methylamino)-1-(4-propylphenyl)ethanol
CID 64988870
2-(methylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60903965
2-(methylamino)-1-(4-pyrrolidin-1-ylphenyl)ethanol
CID 21098586
2-(methylamino)-1-(4-propoxyphenyl)ethanol
CID 62772547
[4-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenyl] acetate
CID 95004375
3-[4-(1-methoxycyclopropyl)phenyl]propanoic acid
CID 117114832

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methoxycyclopropyl)phenyl]-2-(methylamino)ethanol?
The IUPAC name of 1-[4-(1-methoxycyclopropyl)phenyl]-2-(methylamino)ethanol (CID 117108149) is 1-[4-(1-methoxycyclopropyl)phenyl]-2-(methylamino)ethanol.
What is the SMILES notation for 1-[4-(1-methoxycyclopropyl)phenyl]-2-(methylamino)ethanol?
The canonical SMILES for 1-[4-(1-methoxycyclopropyl)phenyl]-2-(methylamino)ethanol is CNCC(O)c1ccc(C2(OC)CC2)cc1.
What is the InChIKey of 1-[4-(1-methoxycyclopropyl)phenyl]-2-(methylamino)ethanol?
The InChIKey is MBNRCJUTHYWMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-14-9-12(15)10-3-5-11(6-4-10)13(16-2)7-8-13/h3-6,12,14-15H,7-9H2,1-2H3.
What are the key properties of 1-[4-(1-methoxycyclopropyl)phenyl]-2-(methylamino)ethanol?
1-[4-(1-methoxycyclopropyl)phenyl]-2-(methylamino)ethanol has a molecular weight of 221.30 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methoxycyclopropyl)phenyl]-2-(methylamino)ethanol is sourced from PubChem (CID 117108149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).