1-(2-ethylhexylamino)-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-2-ol

C21H35NO2 — CID 154132610

IUPAC1-(2-ethylhexylamino)-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-2-ol
SMILESCCCCC(CC)CNCC(O)COc1cccc2c1CCCC2
InChIInChI=1S/C21H35NO2/c1-3-5-9-17(4-2)14-22-15-19(23)16-24-21-13-8-11-18-10-6-7-12-20(18)21/h8,11,13,17,19,22-23H,3-7,9-10,12,14-16H2,1-2H3
InChIKeyKEOAPWKKYIOCHI-UHFFFAOYSA-N
MW333.52 g/mol
LogP4.11
Rot. Bonds11

About 1-(2-ethylhexylamino)-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-2-ol

1-(2-ethylhexylamino)-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-2-ol (PubChem CID 154132610) has the molecular formula C21H35NO2 and a molecular weight of 333.52 g/mol. Its IUPAC name is 1-(2-ethylhexylamino)-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-ethylhexylamino)-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-2-ol
PubChem CID154132610
Molecular FormulaC21H35NO2
Molecular Weight333.52 g/mol
Exact Mass333.27
IUPAC Name1-(2-ethylhexylamino)-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-2-ol
SMILESCCCCC(CC)CNCC(O)COc1cccc2c1CCCC2
InChIInChI=1S/C21H35NO2/c1-3-5-9-17(4-2)14-22-15-19(23)16-24-21-13-8-11-18-10-6-7-12-20(18)21/h8,11,13,17,19,22-23H,3-7,9-10,12,14-16H2,1-2H3
InChIKeyKEOAPWKKYIOCHI-UHFFFAOYSA-N
XLogP4.11
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-ethylhexylamino)-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-[(2S)-2-ethylhexyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100546024
5-butoxy-1,2,3,4-tetrahydronaphthalene
CID 57014002
1-(2,3-dihydro-1H-inden-4-yloxy)-3-(propan-2-ylamino)butan-2-ol
CID 12912515
4-[2-(hydroxymethyl)phenyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yloxy)butan-2-ol
CID 70185548
1-(2-ethylhexylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 107820071
2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetic acid;undecane
CID 144530231
N-ethyl-2-[(3-fluorophenyl)methyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-amine
CID 67867995
1-(2-ethylhexylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 103600453
5-(2-ethylhexoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65455916
5-[2-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 117068983
1-amino-5-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentan-3-ol
CID 112508761
1-(cyclopropylmethoxy)-3-(2-ethylhexylamino)propan-2-ol
CID 103600432

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexylamino)-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-2-ol?
The IUPAC name of 1-(2-ethylhexylamino)-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-2-ol (CID 154132610) is 1-(2-ethylhexylamino)-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-2-ol.
What is the SMILES notation for 1-(2-ethylhexylamino)-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-2-ol?
The canonical SMILES for 1-(2-ethylhexylamino)-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-2-ol is CCCCC(CC)CNCC(O)COc1cccc2c1CCCC2.
What is the InChIKey of 1-(2-ethylhexylamino)-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-2-ol?
The InChIKey is KEOAPWKKYIOCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35NO2/c1-3-5-9-17(4-2)14-22-15-19(23)16-24-21-13-8-11-18-10-6-7-12-20(18)21/h8,11,13,17,19,22-23H,3-7,9-10,12,14-16H2,1-2H3.
What are the key properties of 1-(2-ethylhexylamino)-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-2-ol?
1-(2-ethylhexylamino)-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-2-ol has a molecular weight of 333.52 g/mol, XLogP of 4.11, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexylamino)-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-2-ol is sourced from PubChem (CID 154132610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).