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

C18H23NO2 — CID 111488940

IUPAC1-[cyclobutyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol
SMILESCN(CC(O)COc1ccc2ccccc2c1)C1CCC1
InChIInChI=1S/C18H23NO2/c1-19(16-7-4-8-16)12-17(20)13-21-18-10-9-14-5-2-3-6-15(14)11-18/h2-3,5-6,9-11,16-17,20H,4,7-8,12-13H2,1H3
InChIKeyDNXSNZBFQHUGMY-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.06
Rot. Bonds6

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

1-[cyclobutyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol (PubChem CID 111488940) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[cyclobutyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[cyclobutyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol
PubChem CID111488940
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-[cyclobutyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol
SMILESCN(CC(O)COc1ccc2ccccc2c1)C1CCC1
InChIInChI=1S/C18H23NO2/c1-19(16-7-4-8-16)12-17(20)13-21-18-10-9-14-5-2-3-6-15(14)11-18/h2-3,5-6,9-11,16-17,20H,4,7-8,12-13H2,1H3
InChIKeyDNXSNZBFQHUGMY-UHFFFAOYSA-N
XLogP3.06
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[cyclohexyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol
CID 2919622
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-(diethylamino)-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 2769832
1-[3-(aminomethyl)phenoxy]-3-[cyclohexyl(methyl)amino]propan-2-ol
CID 43253511
3-[3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]benzonitrile
CID 43288694
1-(dipropylamino)-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 2834359
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
N-ethyl-N-(2-hydroxy-3-naphthalen-2-yloxypropyl)sulfamate
CID 3104968

Frequently Asked Questions

What is the IUPAC name of 1-[cyclobutyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol?
The IUPAC name of 1-[cyclobutyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol (CID 111488940) is 1-[cyclobutyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[cyclobutyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol?
The canonical SMILES for 1-[cyclobutyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol is CN(CC(O)COc1ccc2ccccc2c1)C1CCC1.
What is the InChIKey of 1-[cyclobutyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol?
The InChIKey is DNXSNZBFQHUGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-19(16-7-4-8-16)12-17(20)13-21-18-10-9-14-5-2-3-6-15(14)11-18/h2-3,5-6,9-11,16-17,20H,4,7-8,12-13H2,1H3.
What are the key properties of 1-[cyclobutyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol?
1-[cyclobutyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol has a molecular weight of 285.39 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclobutyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol is sourced from PubChem (CID 111488940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).