(2R,3R)-3-[3-(diethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-ol

C17H27NO — CID 70608363

IUPAC(2R,3R)-3-[3-(diethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESCCN(CC)CCC[C@@H]1Cc2ccccc2C[C@H]1O
InChIInChI=1S/C17H27NO/c1-3-18(4-2)11-7-10-16-12-14-8-5-6-9-15(14)13-17(16)19/h5-6,8-9,16-17,19H,3-4,7,10-13H2,1-2H3/t16-,17-/m1/s1
InChIKeyUGOOPYWDOOZXAM-IAGOWNOFSA-N
MW261.41 g/mol
LogP2.88
Rot. Bonds6

About (2R,3R)-3-[3-(diethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-ol

(2R,3R)-3-[3-(diethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-ol (PubChem CID 70608363) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (2R,3R)-3-[3-(diethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-[3-(diethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-ol
PubChem CID70608363
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(2R,3R)-3-[3-(diethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESCCN(CC)CCC[C@@H]1Cc2ccccc2C[C@H]1O
InChIInChI=1S/C17H27NO/c1-3-18(4-2)11-7-10-16-12-14-8-5-6-9-15(14)13-17(16)19/h5-6,8-9,16-17,19H,3-4,7,10-13H2,1-2H3/t16-,17-/m1/s1
InChIKeyUGOOPYWDOOZXAM-IAGOWNOFSA-N
XLogP2.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-[3-(diethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-ol?
The IUPAC name of (2R,3R)-3-[3-(diethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-ol (CID 70608363) is (2R,3R)-3-[3-(diethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-ol.
What is the SMILES notation for (2R,3R)-3-[3-(diethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-ol?
The canonical SMILES for (2R,3R)-3-[3-(diethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-ol is CCN(CC)CCC[C@@H]1Cc2ccccc2C[C@H]1O.
What is the InChIKey of (2R,3R)-3-[3-(diethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-ol?
The InChIKey is UGOOPYWDOOZXAM-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-18(4-2)11-7-10-16-12-14-8-5-6-9-15(14)13-17(16)19/h5-6,8-9,16-17,19H,3-4,7,10-13H2,1-2H3/t16-,17-/m1/s1.
What are the key properties of (2R,3R)-3-[3-(diethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-ol?
(2R,3R)-3-[3-(diethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-ol has a molecular weight of 261.41 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-[3-(diethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 70608363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).