2-(cyclopropylamino)-3-phenoxypropan-1-ol

C12H17NO2 — CID 64804143

IUPAC2-(cyclopropylamino)-3-phenoxypropan-1-ol
SMILESOCC(COc1ccccc1)NC1CC1
InChIInChI=1S/C12H17NO2/c14-8-11(13-10-6-7-10)9-15-12-4-2-1-3-5-12/h1-5,10-11,13-14H,6-9H2
InChIKeyFLMMIFVZSAOAPI-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.18
Rot. Bonds6

About 2-(cyclopropylamino)-3-phenoxypropan-1-ol

2-(cyclopropylamino)-3-phenoxypropan-1-ol (PubChem CID 64804143) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-phenoxypropan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-phenoxypropan-1-ol
PubChem CID64804143
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-(cyclopropylamino)-3-phenoxypropan-1-ol
SMILESOCC(COc1ccccc1)NC1CC1
InChIInChI=1S/C12H17NO2/c14-8-11(13-10-6-7-10)9-15-12-4-2-1-3-5-12/h1-5,10-11,13-14H,6-9H2
InChIKeyFLMMIFVZSAOAPI-UHFFFAOYSA-N
XLogP1.18
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-3-(2-ethylphenoxy)propan-1-ol
CID 64806250
2-(cyclopropylamino)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-1-ol
CID 64803434
2-(cyclopropylamino)-3-(2,5-dimethylphenoxy)propan-1-ol
CID 64802892
2-(cyclopropylamino)-3-(2,5-difluorophenoxy)propan-1-ol
CID 64809098
(2S)-2-[(1-oxothian-4-yl)amino]-3-phenylpropan-1-ol
CID 107862384
4-benzylsulfanyl-2-(cyclopropylamino)butan-1-ol
CID 64808012
2-(cyclopropylamino)-3-(2-fluoro-5-methylphenoxy)propan-1-ol
CID 64856319
2-(cyclopropylamino)-3-(2-methyl-5-propan-2-ylphenoxy)propan-1-ol
CID 64811420
(2S)-3-phenyl-2-[(4-propylcyclohexyl)amino]propan-1-ol
CID 102610255
2-(methylamino)-3-(4-phenylphenoxy)propan-1-ol
CID 64809575
3-phenoxypropane-1,2-diol
CID 158587241
3-phenoxypropane-1,2-diol
CID 10857

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-phenoxypropan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-3-phenoxypropan-1-ol (CID 64804143) is 2-(cyclopropylamino)-3-phenoxypropan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-3-phenoxypropan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-3-phenoxypropan-1-ol is OCC(COc1ccccc1)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-3-phenoxypropan-1-ol?
The InChIKey is FLMMIFVZSAOAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c14-8-11(13-10-6-7-10)9-15-12-4-2-1-3-5-12/h1-5,10-11,13-14H,6-9H2.
What are the key properties of 2-(cyclopropylamino)-3-phenoxypropan-1-ol?
2-(cyclopropylamino)-3-phenoxypropan-1-ol has a molecular weight of 207.27 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-phenoxypropan-1-ol is sourced from PubChem (CID 64804143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).