1-[cyclohexyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol

C20H27NO2 — CID 2919622

IUPAC1-[cyclohexyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol
SMILESCN(CC(O)COc1ccc2ccccc2c1)C1CCCCC1
InChIInChI=1S/C20H27NO2/c1-21(18-9-3-2-4-10-18)14-19(22)15-23-20-12-11-16-7-5-6-8-17(16)13-20/h5-8,11-13,18-19,22H,2-4,9-10,14-15H2,1H3
InChIKeyPCEJUSXAMGFALJ-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.84
Rot. Bonds6

About 1-[cyclohexyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol

1-[cyclohexyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol (PubChem CID 2919622) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is 1-[cyclohexyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[cyclohexyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol
PubChem CID2919622
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name1-[cyclohexyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol
SMILESCN(CC(O)COc1ccc2ccccc2c1)C1CCCCC1
InChIInChI=1S/C20H27NO2/c1-21(18-9-3-2-4-10-18)14-19(22)15-23-20-12-11-16-7-5-6-8-17(16)13-20/h5-8,11-13,18-19,22H,2-4,9-10,14-15H2,1H3
InChIKeyPCEJUSXAMGFALJ-UHFFFAOYSA-N
XLogP3.84
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[cyclobutyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol
CID 111488940
1-[cyclobutyl(methyl)amino]-3-phenoxypropan-2-ol
CID 111488962
1-[cyclohexyl(methyl)amino]-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 3416827
(2S)-1-[cyclohexyl(methyl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 8741472
1-[3-(aminomethyl)phenoxy]-3-[cyclohexyl(methyl)amino]propan-2-ol
CID 43253511
3-[3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]benzonitrile
CID 43288694
4-[3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]benzonitrile
CID 43213548
4-[(2S)-3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]benzonitrile
CID 32730119
1-(4-chloro-3,5-dimethylphenoxy)-3-[cyclohexyl(methyl)amino]propan-2-ol
CID 3416899
cyclohexyl-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]-methylazanium
CID 6945163
1-[cyclohexyl(methyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol chloride
CID 46863798
1-[cyclohexyl(methyl)amino]-3-(2-fluorophenoxy)propan-2-ol chloride
CID 53350472

Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol?
The IUPAC name of 1-[cyclohexyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol (CID 2919622) is 1-[cyclohexyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[cyclohexyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol?
The canonical SMILES for 1-[cyclohexyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol is CN(CC(O)COc1ccc2ccccc2c1)C1CCCCC1.
What is the InChIKey of 1-[cyclohexyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol?
The InChIKey is PCEJUSXAMGFALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-21(18-9-3-2-4-10-18)14-19(22)15-23-20-12-11-16-7-5-6-8-17(16)13-20/h5-8,11-13,18-19,22H,2-4,9-10,14-15H2,1H3.
What are the key properties of 1-[cyclohexyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol?
1-[cyclohexyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol has a molecular weight of 313.44 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol is sourced from PubChem (CID 2919622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).