1-(tert-butylamino)-2-naphthalen-1-ylpropan-2-ol

C17H23NO — CID 62774382

IUPAC1-(tert-butylamino)-2-naphthalen-1-ylpropan-2-ol
SMILESCC(C)(C)NCC(C)(O)c1cccc2ccccc12
InChIInChI=1S/C17H23NO/c1-16(2,3)18-12-17(4,19)15-11-7-9-13-8-5-6-10-14(13)15/h5-11,18-19H,12H2,1-4H3
InChIKeyWKOOPBJXZXJZSN-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.44
Rot. Bonds3

About 1-(tert-butylamino)-2-naphthalen-1-ylpropan-2-ol

1-(tert-butylamino)-2-naphthalen-1-ylpropan-2-ol (PubChem CID 62774382) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(tert-butylamino)-2-naphthalen-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-2-naphthalen-1-ylpropan-2-ol
PubChem CID62774382
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name1-(tert-butylamino)-2-naphthalen-1-ylpropan-2-ol
SMILESCC(C)(C)NCC(C)(O)c1cccc2ccccc12
InChIInChI=1S/C17H23NO/c1-16(2,3)18-12-17(4,19)15-11-7-9-13-8-5-6-10-14(13)15/h5-11,18-19H,12H2,1-4H3
InChIKeyWKOOPBJXZXJZSN-UHFFFAOYSA-N
XLogP3.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-2-naphthalen-1-ylpropan-2-ol?
The IUPAC name of 1-(tert-butylamino)-2-naphthalen-1-ylpropan-2-ol (CID 62774382) is 1-(tert-butylamino)-2-naphthalen-1-ylpropan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-2-naphthalen-1-ylpropan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-2-naphthalen-1-ylpropan-2-ol is CC(C)(C)NCC(C)(O)c1cccc2ccccc12.
What is the InChIKey of 1-(tert-butylamino)-2-naphthalen-1-ylpropan-2-ol?
The InChIKey is WKOOPBJXZXJZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-16(2,3)18-12-17(4,19)15-11-7-9-13-8-5-6-10-14(13)15/h5-11,18-19H,12H2,1-4H3.
What are the key properties of 1-(tert-butylamino)-2-naphthalen-1-ylpropan-2-ol?
1-(tert-butylamino)-2-naphthalen-1-ylpropan-2-ol has a molecular weight of 257.38 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-2-naphthalen-1-ylpropan-2-ol is sourced from PubChem (CID 62774382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).