1-(2-cyclopropylpropylamino)-3-(1-phenylethoxy)propan-2-ol

C17H27NO2 — CID 115591839

IUPAC1-(2-cyclopropylpropylamino)-3-(1-phenylethoxy)propan-2-ol
SMILESCC(OCC(O)CNCC(C)C1CC1)c1ccccc1
InChIInChI=1S/C17H27NO2/c1-13(15-8-9-15)10-18-11-17(19)12-20-14(2)16-6-4-3-5-7-16/h3-7,13-15,17-19H,8-12H2,1-2H3
InChIKeyFYDNWBIWIZGYSH-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.76
Rot. Bonds9

About 1-(2-cyclopropylpropylamino)-3-(1-phenylethoxy)propan-2-ol

1-(2-cyclopropylpropylamino)-3-(1-phenylethoxy)propan-2-ol (PubChem CID 115591839) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(2-cyclopropylpropylamino)-3-(1-phenylethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-cyclopropylpropylamino)-3-(1-phenylethoxy)propan-2-ol
PubChem CID115591839
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-(2-cyclopropylpropylamino)-3-(1-phenylethoxy)propan-2-ol
SMILESCC(OCC(O)CNCC(C)C1CC1)c1ccccc1
InChIInChI=1S/C17H27NO2/c1-13(15-8-9-15)10-18-11-17(19)12-20-14(2)16-6-4-3-5-7-16/h3-7,13-15,17-19H,8-12H2,1-2H3
InChIKeyFYDNWBIWIZGYSH-UHFFFAOYSA-N
XLogP2.76
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cyclopropylethylamino)-3-(1-phenylethoxy)propan-2-ol
CID 54938755
1-(1-phenylethoxy)-3-(2,3,3-trimethylbutylamino)propan-2-ol
CID 83142673
1-(cyclopentylamino)-3-(1-phenylethoxy)propan-2-ol
CID 60635394
1-(2-cyclopropylpropylamino)-3-phenylmethoxypropan-2-ol
CID 115591857
(2S)-1-[(1S)-1-phenylethoxy]-3-[[(3R)-thiolan-3-yl]amino]propan-2-ol
CID 97321907
1-[(1-methylpyrrolidin-2-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol
CID 106025545
1-[(2-methylcyclopropyl)amino]-3-(1-phenylethoxy)propan-2-ol
CID 55071380
2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]-N-propan-2-ylacetamide
CID 60910597
2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]-N-methylacetamide
CID 60901591
1-[(1-methylpiperidin-4-yl)amino]-3-(1-phenylethoxy)propan-2-ol
CID 60910129
N-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]cyclopentanecarboxamide
CID 94800865
1-(1-phenylethoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol
CID 79352877

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylpropylamino)-3-(1-phenylethoxy)propan-2-ol?
The IUPAC name of 1-(2-cyclopropylpropylamino)-3-(1-phenylethoxy)propan-2-ol (CID 115591839) is 1-(2-cyclopropylpropylamino)-3-(1-phenylethoxy)propan-2-ol.
What is the SMILES notation for 1-(2-cyclopropylpropylamino)-3-(1-phenylethoxy)propan-2-ol?
The canonical SMILES for 1-(2-cyclopropylpropylamino)-3-(1-phenylethoxy)propan-2-ol is CC(OCC(O)CNCC(C)C1CC1)c1ccccc1.
What is the InChIKey of 1-(2-cyclopropylpropylamino)-3-(1-phenylethoxy)propan-2-ol?
The InChIKey is FYDNWBIWIZGYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13(15-8-9-15)10-18-11-17(19)12-20-14(2)16-6-4-3-5-7-16/h3-7,13-15,17-19H,8-12H2,1-2H3.
What are the key properties of 1-(2-cyclopropylpropylamino)-3-(1-phenylethoxy)propan-2-ol?
1-(2-cyclopropylpropylamino)-3-(1-phenylethoxy)propan-2-ol has a molecular weight of 277.41 g/mol, XLogP of 2.76, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylpropylamino)-3-(1-phenylethoxy)propan-2-ol is sourced from PubChem (CID 115591839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).