3-[benzyl(ethyl)amino]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol

C22H29NO — CID 82073593

IUPAC3-[benzyl(ethyl)amino]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
SMILESCCN(CCC(O)c1ccc2c(c1)CCCC2)Cc1ccccc1
InChIInChI=1S/C22H29NO/c1-2-23(17-18-8-4-3-5-9-18)15-14-22(24)21-13-12-19-10-6-7-11-20(19)16-21/h3-5,8-9,12-13,16,22,24H,2,6-7,10-11,14-15,17H2,1H3
InChIKeyUGLMFNUYLFPNGX-UHFFFAOYSA-N
MW323.48 g/mol
LogP4.51
Rot. Bonds7

About 3-[benzyl(ethyl)amino]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol

3-[benzyl(ethyl)amino]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol (PubChem CID 82073593) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is 3-[benzyl(ethyl)amino]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-[benzyl(ethyl)amino]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
PubChem CID82073593
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC Name3-[benzyl(ethyl)amino]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
SMILESCCN(CCC(O)c1ccc2c(c1)CCCC2)Cc1ccccc1
InChIInChI=1S/C22H29NO/c1-2-23(17-18-8-4-3-5-9-18)15-14-22(24)21-13-12-19-10-6-7-11-20(19)16-21/h3-5,8-9,12-13,16,22,24H,2,6-7,10-11,14-15,17H2,1H3
InChIKeyUGLMFNUYLFPNGX-UHFFFAOYSA-N
XLogP4.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[ethyl(2-hydroxyethyl)amino]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 82215823
3-sulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
CID 116830936
3-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
CID 116831085
3-amino-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)propan-1-ol
CID 84684971
3-[ethyl(pyridin-4-ylmethyl)amino]-1-(3-fluorophenyl)propan-1-ol
CID 62628781
3-(N-ethylanilino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-ol
CID 82074064
(1S)-2-[benzyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanol
CID 92856160
1-(2,3-dihydro-1H-inden-5-yl)-4,4-dimethylpentan-1-ol
CID 115791341
3-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 82366719
N'-benzyl-N'-(2-hydroxyethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
CID 108511215
N'-benzyl-N'-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
CID 108510807
N-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 82116189

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(ethyl)amino]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol?
The IUPAC name of 3-[benzyl(ethyl)amino]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol (CID 82073593) is 3-[benzyl(ethyl)amino]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol.
What is the SMILES notation for 3-[benzyl(ethyl)amino]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol?
The canonical SMILES for 3-[benzyl(ethyl)amino]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol is CCN(CCC(O)c1ccc2c(c1)CCCC2)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(ethyl)amino]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol?
The InChIKey is UGLMFNUYLFPNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO/c1-2-23(17-18-8-4-3-5-9-18)15-14-22(24)21-13-12-19-10-6-7-11-20(19)16-21/h3-5,8-9,12-13,16,22,24H,2,6-7,10-11,14-15,17H2,1H3.
What are the key properties of 3-[benzyl(ethyl)amino]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol?
3-[benzyl(ethyl)amino]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol has a molecular weight of 323.48 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(ethyl)amino]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol is sourced from PubChem (CID 82073593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).