1-[(2-methylcyclopropyl)amino]-3-(1-phenylethoxy)propan-2-ol

C15H23NO2 — CID 55071380

IUPAC1-[(2-methylcyclopropyl)amino]-3-(1-phenylethoxy)propan-2-ol
SMILESCC(OCC(O)CNC1CC1C)c1ccccc1
InChIInChI=1S/C15H23NO2/c1-11-8-15(11)16-9-14(17)10-18-12(2)13-6-4-3-5-7-13/h3-7,11-12,14-17H,8-10H2,1-2H3
InChIKeyKZXKBLOMAAHXDI-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.12
Rot. Bonds7

About 1-[(2-methylcyclopropyl)amino]-3-(1-phenylethoxy)propan-2-ol

1-[(2-methylcyclopropyl)amino]-3-(1-phenylethoxy)propan-2-ol (PubChem CID 55071380) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-[(2-methylcyclopropyl)amino]-3-(1-phenylethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(2-methylcyclopropyl)amino]-3-(1-phenylethoxy)propan-2-ol
PubChem CID55071380
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-[(2-methylcyclopropyl)amino]-3-(1-phenylethoxy)propan-2-ol
SMILESCC(OCC(O)CNC1CC1C)c1ccccc1
InChIInChI=1S/C15H23NO2/c1-11-8-15(11)16-9-14(17)10-18-12(2)13-6-4-3-5-7-13/h3-7,11-12,14-17H,8-10H2,1-2H3
InChIKeyKZXKBLOMAAHXDI-UHFFFAOYSA-N
XLogP2.12
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopentylamino)-3-(1-phenylethoxy)propan-2-ol
CID 60635394
1-(1-phenylethoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol
CID 79352877
1-[(2-methylcyclopropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 62396754
1-[(1-methylpiperidin-4-yl)amino]-3-(1-phenylethoxy)propan-2-ol
CID 60910129
1-[(2,2-dimethylcyclopentyl)amino]-3-(1-phenylethoxy)propan-2-ol
CID 79870746
(2S)-1-[(1S)-1-phenylethoxy]-3-[[(3R)-thiolan-3-yl]amino]propan-2-ol
CID 97321907
1-(2-cyclopropylpropylamino)-3-(1-phenylethoxy)propan-2-ol
CID 115591839
1-(1-cyclopropylethylamino)-3-(1-phenylethoxy)propan-2-ol
CID 54938755
N-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]cyclopentanecarboxamide
CID 94800865
2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]-3-methylbutan-1-ol
CID 79250235
1-(1-phenylethoxy)-3-(2,3,3-trimethylbutylamino)propan-2-ol
CID 83142673
1-(3-ethylpentan-2-ylamino)-3-(1-phenylethoxy)propan-2-ol
CID 63837243

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylcyclopropyl)amino]-3-(1-phenylethoxy)propan-2-ol?
The IUPAC name of 1-[(2-methylcyclopropyl)amino]-3-(1-phenylethoxy)propan-2-ol (CID 55071380) is 1-[(2-methylcyclopropyl)amino]-3-(1-phenylethoxy)propan-2-ol.
What is the SMILES notation for 1-[(2-methylcyclopropyl)amino]-3-(1-phenylethoxy)propan-2-ol?
The canonical SMILES for 1-[(2-methylcyclopropyl)amino]-3-(1-phenylethoxy)propan-2-ol is CC(OCC(O)CNC1CC1C)c1ccccc1.
What is the InChIKey of 1-[(2-methylcyclopropyl)amino]-3-(1-phenylethoxy)propan-2-ol?
The InChIKey is KZXKBLOMAAHXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-8-15(11)16-9-14(17)10-18-12(2)13-6-4-3-5-7-13/h3-7,11-12,14-17H,8-10H2,1-2H3.
What are the key properties of 1-[(2-methylcyclopropyl)amino]-3-(1-phenylethoxy)propan-2-ol?
1-[(2-methylcyclopropyl)amino]-3-(1-phenylethoxy)propan-2-ol has a molecular weight of 249.35 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylcyclopropyl)amino]-3-(1-phenylethoxy)propan-2-ol is sourced from PubChem (CID 55071380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).