2-[[(1R)-5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-phenylethanol

C20H25NO — CID 69382831

IUPAC2-[[(1R)-5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-phenylethanol
SMILESCc1cc(C)c2c(c1)[C@H](NC(CO)c1ccccc1)CCC2
InChIInChI=1S/C20H25NO/c1-14-11-15(2)17-9-6-10-19(18(17)12-14)21-20(13-22)16-7-4-3-5-8-16/h3-5,7-8,11-12,19-22H,6,9-10,13H2,1-2H3/t19-,20?/m1/s1
InChIKeyPEKVNACDPAPRSL-FIWHBWSRSA-N
MW295.43 g/mol
LogP4.00
Rot. Bonds4

About 2-[[(1R)-5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-phenylethanol

2-[[(1R)-5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-phenylethanol (PubChem CID 69382831) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-[[(1R)-5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-phenylethanol.

Molecular Properties

Compound Name2-[[(1R)-5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-phenylethanol
PubChem CID69382831
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name2-[[(1R)-5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-phenylethanol
SMILESCc1cc(C)c2c(c1)[C@H](NC(CO)c1ccccc1)CCC2
InChIInChI=1S/C20H25NO/c1-14-11-15(2)17-9-6-10-19(18(17)12-14)21-20(13-22)16-7-4-3-5-8-16/h3-5,7-8,11-12,19-22H,6,9-10,13H2,1-2H3/t19-,20?/m1/s1
InChIKeyPEKVNACDPAPRSL-FIWHBWSRSA-N
XLogP4.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-phenylethanol?
The IUPAC name of 2-[[(1R)-5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-phenylethanol (CID 69382831) is 2-[[(1R)-5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-phenylethanol.
What is the SMILES notation for 2-[[(1R)-5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-phenylethanol?
The canonical SMILES for 2-[[(1R)-5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-phenylethanol is Cc1cc(C)c2c(c1)[C@H](NC(CO)c1ccccc1)CCC2.
What is the InChIKey of 2-[[(1R)-5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-phenylethanol?
The InChIKey is PEKVNACDPAPRSL-FIWHBWSRSA-N. The full InChI is InChI=1S/C20H25NO/c1-14-11-15(2)17-9-6-10-19(18(17)12-14)21-20(13-22)16-7-4-3-5-8-16/h3-5,7-8,11-12,19-22H,6,9-10,13H2,1-2H3/t19-,20?/m1/s1.
What are the key properties of 2-[[(1R)-5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-phenylethanol?
2-[[(1R)-5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-phenylethanol has a molecular weight of 295.43 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-phenylethanol is sourced from PubChem (CID 69382831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).