1-naphthalen-1-yloxy-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol

C20H29NO2 — CID 3076139

IUPAC1-naphthalen-1-yloxy-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol
SMILESCC(C)(C)C(C)(C)NCC(O)COc1cccc2ccccc12
InChIInChI=1S/C20H29NO2/c1-19(2,3)20(4,5)21-13-16(22)14-23-18-12-8-10-15-9-6-7-11-17(15)18/h6-12,16,21-22H,13-14H2,1-5H3
InChIKeyBDQGAORRWAJQGX-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.99
Rot. Bonds6

About 1-naphthalen-1-yloxy-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol

1-naphthalen-1-yloxy-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol (PubChem CID 3076139) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is 1-naphthalen-1-yloxy-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-naphthalen-1-yloxy-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol
PubChem CID3076139
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC Name1-naphthalen-1-yloxy-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol
SMILESCC(C)(C)C(C)(C)NCC(O)COc1cccc2ccccc12
InChIInChI=1S/C20H29NO2/c1-19(2,3)20(4,5)21-13-16(22)14-23-18-12-8-10-15-9-6-7-11-17(15)18/h6-12,16,21-22H,13-14H2,1-5H3
InChIKeyBDQGAORRWAJQGX-UHFFFAOYSA-N
XLogP3.99
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methyl-1-phenylpropan-2-yl)amino]-3-naphthalen-1-yloxypropan-2-ol
CID 22640874
(2R)-1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol
CID 59040452
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
1-chloroethyl 2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-2-methylpropanoate
CID 70405843
1-(1-aminoethylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 70482185
ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 174932203
N-(2-hydroxy-3-naphthalen-1-yloxypropyl)ethanethioamide
CID 134858225
1-(2-butan-2-ylphenoxy)-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol
CID 5000223
1-(butan-2-ylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 20517366
sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 173252787
1-(4-bromoanilino)-3-naphthalen-1-yloxypropan-2-ol
CID 23884461
(2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol
CID 18599941

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yloxy-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol?
The IUPAC name of 1-naphthalen-1-yloxy-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol (CID 3076139) is 1-naphthalen-1-yloxy-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-naphthalen-1-yloxy-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-naphthalen-1-yloxy-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol is CC(C)(C)C(C)(C)NCC(O)COc1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-yloxy-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol?
The InChIKey is BDQGAORRWAJQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO2/c1-19(2,3)20(4,5)21-13-16(22)14-23-18-12-8-10-15-9-6-7-11-17(15)18/h6-12,16,21-22H,13-14H2,1-5H3.
What are the key properties of 1-naphthalen-1-yloxy-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol?
1-naphthalen-1-yloxy-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol has a molecular weight of 315.46 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yloxy-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol is sourced from PubChem (CID 3076139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).