1-[4-[(2R)-3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]phenyl]propan-1-one

C19H29NO3 — CID 1265839

IUPAC1-[4-[(2R)-3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OC[C@H](O)CN(C)C2CCCCC2)cc1
InChIInChI=1S/C19H29NO3/c1-3-19(22)15-9-11-18(12-10-15)23-14-17(21)13-20(2)16-7-5-4-6-8-16/h9-12,16-17,21H,3-8,13-14H2,1-2H3/t17-/m1/s1
InChIKeyIOSHWMJSTKVNLU-QGZVFWFLSA-N
MW319.45 g/mol
LogP3.28
Rot. Bonds8

About 1-[4-[(2R)-3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]phenyl]propan-1-one

1-[4-[(2R)-3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]phenyl]propan-1-one (PubChem CID 1265839) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-[4-[(2R)-3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-[(2R)-3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]phenyl]propan-1-one
PubChem CID1265839
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC Name1-[4-[(2R)-3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OC[C@H](O)CN(C)C2CCCCC2)cc1
InChIInChI=1S/C19H29NO3/c1-3-19(22)15-9-11-18(12-10-15)23-14-17(21)13-20(2)16-7-5-4-6-8-16/h9-12,16-17,21H,3-8,13-14H2,1-2H3/t17-/m1/s1
InChIKeyIOSHWMJSTKVNLU-QGZVFWFLSA-N
XLogP3.28
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[cyclohexyl(methyl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 8741472
1-[cyclohexyl(methyl)amino]-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 3416827
1-[4-[(2R)-3-(cycloheptylamino)-2-hydroxypropoxy]phenyl]propan-1-one
CID 2102296
4-[3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]benzonitrile
CID 43213548
4-[(2S)-3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]benzonitrile
CID 32730119
1-[cyclobutyl(methyl)amino]-3-phenoxypropan-2-ol
CID 111488962
1-[4-[(2S)-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropoxy]phenyl]propan-1-one
CID 51566506
1-[cyclohexyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol
CID 2919622
1-[4-[3-(cyclopropylamino)-2-hydroxypropoxy]phenyl]propan-1-one
CID 138958786
1-[cyclobutyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol
CID 111488940
1-(4-chloro-3,5-dimethylphenoxy)-3-[cyclohexyl(methyl)amino]propan-2-ol
CID 3416899
3-[3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]benzonitrile
CID 43288694

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2R)-3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]phenyl]propan-1-one?
The IUPAC name of 1-[4-[(2R)-3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]phenyl]propan-1-one (CID 1265839) is 1-[4-[(2R)-3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]phenyl]propan-1-one.
What is the SMILES notation for 1-[4-[(2R)-3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]phenyl]propan-1-one?
The canonical SMILES for 1-[4-[(2R)-3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]phenyl]propan-1-one is CCC(=O)c1ccc(OC[C@H](O)CN(C)C2CCCCC2)cc1.
What is the InChIKey of 1-[4-[(2R)-3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]phenyl]propan-1-one?
The InChIKey is IOSHWMJSTKVNLU-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H29NO3/c1-3-19(22)15-9-11-18(12-10-15)23-14-17(21)13-20(2)16-7-5-4-6-8-16/h9-12,16-17,21H,3-8,13-14H2,1-2H3/t17-/m1/s1.
What are the key properties of 1-[4-[(2R)-3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]phenyl]propan-1-one?
1-[4-[(2R)-3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]phenyl]propan-1-one has a molecular weight of 319.45 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2R)-3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]phenyl]propan-1-one is sourced from PubChem (CID 1265839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).