1-(2-phenylcyclopropyl)-2-(propan-2-ylamino)ethanol

C14H21NO — CID 116518402

IUPAC1-(2-phenylcyclopropyl)-2-(propan-2-ylamino)ethanol
SMILESCC(C)NCC(O)C1CC1c1ccccc1
InChIInChI=1S/C14H21NO/c1-10(2)15-9-14(16)13-8-12(13)11-6-4-3-5-7-11/h3-7,10,12-16H,8-9H2,1-2H3
InChIKeyRDFLZWLNEUDLCU-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.15
Rot. Bonds5

About 1-(2-phenylcyclopropyl)-2-(propan-2-ylamino)ethanol

1-(2-phenylcyclopropyl)-2-(propan-2-ylamino)ethanol (PubChem CID 116518402) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(2-phenylcyclopropyl)-2-(propan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-(2-phenylcyclopropyl)-2-(propan-2-ylamino)ethanol
PubChem CID116518402
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-(2-phenylcyclopropyl)-2-(propan-2-ylamino)ethanol
SMILESCC(C)NCC(O)C1CC1c1ccccc1
InChIInChI=1S/C14H21NO/c1-10(2)15-9-14(16)13-8-12(13)11-6-4-3-5-7-11/h3-7,10,12-16H,8-9H2,1-2H3
InChIKeyRDFLZWLNEUDLCU-UHFFFAOYSA-N
XLogP2.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[(1S,2S)-2-phenylcyclopropyl]ethane-1,2-diol
CID 11769104
2-[(1S,2S)-2-phenylcyclopropyl]propan-1-ol
CID 130128748
[(1S,2R)-2-butan-2-ylcyclopropyl]benzene
CID 100977404
(2-methylcyclopropyl)-(2-phenylcyclopropyl)methanol
CID 116517226
1-[(1R,2S)-2-phenylcyclopropyl]ethanamine
CID 57373127
(1S,2R)-1-[(1R,2R)-2-phenylcyclopropyl]propane-1,2,3-triol
CID 102209606
(2S)-1-[(2-phenylcyclopropyl)amino]propan-2-ol
CID 106932009
2-methyl-N-(2-methylpropyl)-3-(2-phenylcyclopropyl)butan-1-amine
CID 116518633
3-methyl-N-(2-methylpropyl)-2-(2-phenylcyclopropyl)butan-1-amine
CID 116518003
2-(1-ethylimidazol-2-yl)-1-(2-phenylcyclopropyl)ethanol
CID 115819256
1-(2-phenylcyclohexyl)propan-1-ol
CID 105403860
3-methyl-1-(2-phenylcyclopropyl)butan-1-amine
CID 116517331

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylcyclopropyl)-2-(propan-2-ylamino)ethanol?
The IUPAC name of 1-(2-phenylcyclopropyl)-2-(propan-2-ylamino)ethanol (CID 116518402) is 1-(2-phenylcyclopropyl)-2-(propan-2-ylamino)ethanol.
What is the SMILES notation for 1-(2-phenylcyclopropyl)-2-(propan-2-ylamino)ethanol?
The canonical SMILES for 1-(2-phenylcyclopropyl)-2-(propan-2-ylamino)ethanol is CC(C)NCC(O)C1CC1c1ccccc1.
What is the InChIKey of 1-(2-phenylcyclopropyl)-2-(propan-2-ylamino)ethanol?
The InChIKey is RDFLZWLNEUDLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10(2)15-9-14(16)13-8-12(13)11-6-4-3-5-7-11/h3-7,10,12-16H,8-9H2,1-2H3.
What are the key properties of 1-(2-phenylcyclopropyl)-2-(propan-2-ylamino)ethanol?
1-(2-phenylcyclopropyl)-2-(propan-2-ylamino)ethanol has a molecular weight of 219.33 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylcyclopropyl)-2-(propan-2-ylamino)ethanol is sourced from PubChem (CID 116518402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).