1-(tert-butylamino)-3-naphthalen-2-yloxypropan-2-ol

C17H23NO2 — CID 2769824

IUPAC1-(tert-butylamino)-3-naphthalen-2-yloxypropan-2-ol
SMILESCC(C)(C)NCC(O)COc1ccc2ccccc2c1
InChIInChI=1S/C17H23NO2/c1-17(2,3)18-11-15(19)12-20-16-9-8-13-6-4-5-7-14(13)10-16/h4-10,15,18-19H,11-12H2,1-3H3
InChIKeyJBZCAAUCFLMBPV-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.97
Rot. Bonds5

About 1-(tert-butylamino)-3-naphthalen-2-yloxypropan-2-ol

1-(tert-butylamino)-3-naphthalen-2-yloxypropan-2-ol (PubChem CID 2769824) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-naphthalen-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-naphthalen-2-yloxypropan-2-ol
PubChem CID2769824
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name1-(tert-butylamino)-3-naphthalen-2-yloxypropan-2-ol
SMILESCC(C)(C)NCC(O)COc1ccc2ccccc2c1
InChIInChI=1S/C17H23NO2/c1-17(2,3)18-11-15(19)12-20-16-9-8-13-6-4-5-7-14(13)10-16/h4-10,15,18-19H,11-12H2,1-3H3
InChIKeyJBZCAAUCFLMBPV-UHFFFAOYSA-N
XLogP2.97
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(methylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 1132897
(2R)-1-(naphthalen-1-ylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 917554
1-(tert-butylamino)-3-(3-chloro-4-fluorophenoxy)propan-2-ol
CID 115476132
(2S)-1-(tert-butylamino)-3-(4-iodophenoxy)propan-2-ol
CID 101075385
1-(tert-butylamino)-3-(4-chloro-3-methylphenoxy)propan-2-ol;hydrochloride
CID 2770422
(2R)-1-(tert-butylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 787572
(2S)-1-(tert-butylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 787574
(2S)-1-(tert-butylamino)-3-(3,5-dimethylphenoxy)propan-2-ol
CID 780164
2-methyl-N-(3-naphthalen-2-yloxy-2-phenylmethoxypropyl)propan-2-amine;hydrochloride
CID 20517335
1-(tert-butylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 115475984
4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]benzonitrile
CID 93381232
3-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-2-methylisoquinolin-1-one
CID 86736532

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-naphthalen-2-yloxypropan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-naphthalen-2-yloxypropan-2-ol (CID 2769824) is 1-(tert-butylamino)-3-naphthalen-2-yloxypropan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-naphthalen-2-yloxypropan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-naphthalen-2-yloxypropan-2-ol is CC(C)(C)NCC(O)COc1ccc2ccccc2c1.
What is the InChIKey of 1-(tert-butylamino)-3-naphthalen-2-yloxypropan-2-ol?
The InChIKey is JBZCAAUCFLMBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-17(2,3)18-11-15(19)12-20-16-9-8-13-6-4-5-7-14(13)10-16/h4-10,15,18-19H,11-12H2,1-3H3.
What are the key properties of 1-(tert-butylamino)-3-naphthalen-2-yloxypropan-2-ol?
1-(tert-butylamino)-3-naphthalen-2-yloxypropan-2-ol has a molecular weight of 273.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-naphthalen-2-yloxypropan-2-ol is sourced from PubChem (CID 2769824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).