1-[3-(cyclohexylmethoxy)phenyl]-1-(dimethylamino)propan-2-one

C18H27NO2 — CID 68859179

IUPAC1-[3-(cyclohexylmethoxy)phenyl]-1-(dimethylamino)propan-2-one
SMILESCC(=O)C(c1cccc(OCC2CCCCC2)c1)N(C)C
InChIInChI=1S/C18H27NO2/c1-14(20)18(19(2)3)16-10-7-11-17(12-16)21-13-15-8-5-4-6-9-15/h7,10-12,15,18H,4-6,8-9,13H2,1-3H3
InChIKeyBUMUFIOEHOPDBL-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.84
Rot. Bonds6

About 1-[3-(cyclohexylmethoxy)phenyl]-1-(dimethylamino)propan-2-one

1-[3-(cyclohexylmethoxy)phenyl]-1-(dimethylamino)propan-2-one (PubChem CID 68859179) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-[3-(cyclohexylmethoxy)phenyl]-1-(dimethylamino)propan-2-one.

Molecular Properties

Compound Name1-[3-(cyclohexylmethoxy)phenyl]-1-(dimethylamino)propan-2-one
PubChem CID68859179
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name1-[3-(cyclohexylmethoxy)phenyl]-1-(dimethylamino)propan-2-one
SMILESCC(=O)C(c1cccc(OCC2CCCCC2)c1)N(C)C
InChIInChI=1S/C18H27NO2/c1-14(20)18(19(2)3)16-10-7-11-17(12-16)21-13-15-8-5-4-6-9-15/h7,10-12,15,18H,4-6,8-9,13H2,1-3H3
InChIKeyBUMUFIOEHOPDBL-UHFFFAOYSA-N
XLogP3.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(cyclopentylmethoxy)phenyl]ethanamine
CID 61344449
1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol
CID 58097643
3-[3-(cyclohexylmethoxy)phenyl]-1-(dimethylamino)propan-1-ol
CID 135168970
(1S,2S)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propane-1,2-diol
CID 58027593
(1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol;ethane
CID 143785909
1-[3-(cyclohexylmethoxy)phenyl]-3-iminobutan-1-ol
CID 87693184
(1S,2R)-2,3-diamino-1-[3-(cycloheptylmethoxy)phenyl]propan-1-ol
CID 130347435
(S)-[3-(cyclohexylmethoxy)phenyl]-[(2R)-oxiran-2-yl]methanol
CID 87354283
3-(cyclooctylmethoxy)benzoic acid
CID 58347494
2-[3-(cyclohexylmethoxy)phenoxy]propan-1-amine
CID 67316667
3-[3-(cyclooctylmethoxy)phenyl]-3-methoxypropan-1-amine
CID 170002396
(1R,2R)-2-(aminomethyl)-1-[3-(cyclohexylmethoxy)phenyl]pentan-1-ol
CID 174358586

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclohexylmethoxy)phenyl]-1-(dimethylamino)propan-2-one?
The IUPAC name of 1-[3-(cyclohexylmethoxy)phenyl]-1-(dimethylamino)propan-2-one (CID 68859179) is 1-[3-(cyclohexylmethoxy)phenyl]-1-(dimethylamino)propan-2-one.
What is the SMILES notation for 1-[3-(cyclohexylmethoxy)phenyl]-1-(dimethylamino)propan-2-one?
The canonical SMILES for 1-[3-(cyclohexylmethoxy)phenyl]-1-(dimethylamino)propan-2-one is CC(=O)C(c1cccc(OCC2CCCCC2)c1)N(C)C.
What is the InChIKey of 1-[3-(cyclohexylmethoxy)phenyl]-1-(dimethylamino)propan-2-one?
The InChIKey is BUMUFIOEHOPDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-14(20)18(19(2)3)16-10-7-11-17(12-16)21-13-15-8-5-4-6-9-15/h7,10-12,15,18H,4-6,8-9,13H2,1-3H3.
What are the key properties of 1-[3-(cyclohexylmethoxy)phenyl]-1-(dimethylamino)propan-2-one?
1-[3-(cyclohexylmethoxy)phenyl]-1-(dimethylamino)propan-2-one has a molecular weight of 289.42 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclohexylmethoxy)phenyl]-1-(dimethylamino)propan-2-one is sourced from PubChem (CID 68859179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).