3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-(3-tricyclo[2.2.1.02,6]heptanyl)propan-1-one

C19H25NO2 — CID 110183254

IUPAC3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-(3-tricyclo[2.2.1.02,6]heptanyl)propan-1-one
SMILESCC(NCCC(=O)C1C2CC3C(C2)C31)C(O)c1ccccc1
InChIInChI=1S/C19H25NO2/c1-11(19(22)12-5-3-2-4-6-12)20-8-7-16(21)17-13-9-14-15(10-13)18(14)17/h2-6,11,13-15,17-20,22H,7-10H2,1H3
InChIKeyGUMFXSBZCGFBHW-UHFFFAOYSA-N
MW299.41 g/mol
LogP2.56
Rot. Bonds7

About 3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-(3-tricyclo[2.2.1.02,6]heptanyl)propan-1-one

3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-(3-tricyclo[2.2.1.02,6]heptanyl)propan-1-one (PubChem CID 110183254) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-(3-tricyclo[2.2.1.02,6]heptanyl)propan-1-one.

Molecular Properties

Compound Name3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-(3-tricyclo[2.2.1.02,6]heptanyl)propan-1-one
PubChem CID110183254
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-(3-tricyclo[2.2.1.02,6]heptanyl)propan-1-one
SMILESCC(NCCC(=O)C1C2CC3C(C2)C31)C(O)c1ccccc1
InChIInChI=1S/C19H25NO2/c1-11(19(22)12-5-3-2-4-6-12)20-8-7-16(21)17-13-9-14-15(10-13)18(14)17/h2-6,11,13-15,17-20,22H,7-10H2,1H3
InChIKeyGUMFXSBZCGFBHW-UHFFFAOYSA-N
XLogP2.56
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-(3-tricyclo[2.2.1.02,6]heptanyl)propan-1-one with MolForge

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Related Compounds

3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propanoic acid
CID 4299373
3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-phenylpropan-1-one
CID 122190791
3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propan-1-one
CID 110175513
(1S,2R)-1-phenyl-2-(propylamino)propan-1-ol
CID 14697423
3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-(2-methylcyclohexen-1-yl)propan-1-one
CID 110182601
1-phenyl-2-(2-phenylethylamino)propan-1-ol
CID 14813307
(1R,2S)-2-(1-adamantylmethylamino)-1-phenylpropan-1-ol
CID 10637907
(E)-1-(furan-2-yl)-5-[(1-hydroxy-1-phenylpropan-2-yl)amino]pent-1-en-3-one
CID 110176177
1-(3-hydroxyphenyl)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]propan-1-one;hydrochloride
CID 122190812
3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(4-methoxyphenyl)propan-1-one;hydrochloride
CID 122190796
(1R,2S)-2-(aminomethylamino)-1-phenylpropan-1-ol
CID 142004415
3-[[(1R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(3-methoxyphenyl)propan-1-one
CID 6321246

Frequently Asked Questions

What is the IUPAC name of 3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-(3-tricyclo[2.2.1.02,6]heptanyl)propan-1-one?
The IUPAC name of 3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-(3-tricyclo[2.2.1.02,6]heptanyl)propan-1-one (CID 110183254) is 3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-(3-tricyclo[2.2.1.02,6]heptanyl)propan-1-one.
What is the SMILES notation for 3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-(3-tricyclo[2.2.1.02,6]heptanyl)propan-1-one?
The canonical SMILES for 3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-(3-tricyclo[2.2.1.02,6]heptanyl)propan-1-one is CC(NCCC(=O)C1C2CC3C(C2)C31)C(O)c1ccccc1.
What is the InChIKey of 3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-(3-tricyclo[2.2.1.02,6]heptanyl)propan-1-one?
The InChIKey is GUMFXSBZCGFBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-11(19(22)12-5-3-2-4-6-12)20-8-7-16(21)17-13-9-14-15(10-13)18(14)17/h2-6,11,13-15,17-20,22H,7-10H2,1H3.
What are the key properties of 3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-(3-tricyclo[2.2.1.02,6]heptanyl)propan-1-one?
3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-(3-tricyclo[2.2.1.02,6]heptanyl)propan-1-one has a molecular weight of 299.41 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-(3-tricyclo[2.2.1.02,6]heptanyl)propan-1-one is sourced from PubChem (CID 110183254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).