1-(diethylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol

C17H28N2O — CID 60710571

IUPAC1-(diethylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol
SMILESCCN(CC)CC(O)CNC1CCCc2ccccc21
InChIInChI=1S/C17H28N2O/c1-3-19(4-2)13-15(20)12-18-17-11-7-9-14-8-5-6-10-16(14)17/h5-6,8,10,15,17-18,20H,3-4,7,9,11-13H2,1-2H3
InChIKeyCLJJBYMYFAUVHQ-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.36
Rot. Bonds7

About 1-(diethylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol

1-(diethylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol (PubChem CID 60710571) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(diethylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(diethylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol
PubChem CID60710571
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(diethylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol
SMILESCCN(CC)CC(O)CNC1CCCc2ccccc21
InChIInChI=1S/C17H28N2O/c1-3-19(4-2)13-15(20)12-18-17-11-7-9-14-8-5-6-10-16(14)17/h5-6,8,10,15,17-18,20H,3-4,7,9,11-13H2,1-2H3
InChIKeyCLJJBYMYFAUVHQ-UHFFFAOYSA-N
XLogP2.36
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol
CID 4555077
2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propane-1-sulfonic acid
CID 58931844
1-cyclopentyl-3-(2,3-dihydro-1H-inden-1-ylamino)propan-2-ol
CID 103157324
N',N'-diethyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propane-1,3-diamine
CID 43095798
N-(3-methyl-2-propan-2-ylbutyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 102904359
3-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-1-ol
CID 66091347
3-ethyl-2-N,2-N-dimethyl-1-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentane-1,2-diamine
CID 43101560
2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid
CID 43652090
1-(2,3-dihydro-1H-inden-1-ylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60729065
1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)pentan-3-ol
CID 113262793
(2R)-1-naphthalen-2-yloxy-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-ol
CID 2520495
N-cyclopropyl-N-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide
CID 61487918

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol?
The IUPAC name of 1-(diethylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol (CID 60710571) is 1-(diethylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol.
What is the SMILES notation for 1-(diethylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol?
The canonical SMILES for 1-(diethylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol is CCN(CC)CC(O)CNC1CCCc2ccccc21.
What is the InChIKey of 1-(diethylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol?
The InChIKey is CLJJBYMYFAUVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-19(4-2)13-15(20)12-18-17-11-7-9-14-8-5-6-10-16(14)17/h5-6,8,10,15,17-18,20H,3-4,7,9,11-13H2,1-2H3.
What are the key properties of 1-(diethylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol?
1-(diethylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol has a molecular weight of 276.42 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol is sourced from PubChem (CID 60710571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).