3-[3-methoxypropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol

C17H27NO2 — CID 111799443

IUPAC3-[3-methoxypropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
SMILESCOCCCN(CCCO)C1CCCc2ccccc21
InChIInChI=1S/C17H27NO2/c1-20-14-6-12-18(11-5-13-19)17-10-4-8-15-7-2-3-9-16(15)17/h2-3,7,9,17,19H,4-6,8,10-14H2,1H3
InChIKeyNGIJJMRYDZPQHI-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.78
Rot. Bonds8

About 3-[3-methoxypropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol

3-[3-methoxypropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol (PubChem CID 111799443) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-[3-methoxypropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[3-methoxypropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
PubChem CID111799443
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name3-[3-methoxypropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
SMILESCOCCCN(CCCO)C1CCCc2ccccc21
InChIInChI=1S/C17H27NO2/c1-20-14-6-12-18(11-5-13-19)17-10-4-8-15-7-2-3-9-16(15)17/h2-3,7,9,17,19H,4-6,8,10-14H2,1H3
InChIKeyNGIJJMRYDZPQHI-UHFFFAOYSA-N
XLogP2.78
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2,3-dihydro-1H-inden-1-yl(3-methoxypropyl)amino]propan-1-ol
CID 111333716
3-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]propan-1-ol
CID 111333724
1-[2-[3-hydroxypropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethyl]pyrrolidine-2,5-dione
CID 111799408
2-[3-methylsulfonylpropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
CID 111333650
1-[2-[3-hydroxypropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethyl]pyrrolidin-2-one
CID 111544106
2-[2-methylsulfonylethyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethanol
CID 96547860
3-[[(3S)-oxolan-3-yl]methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-1-ol
CID 97221692
3-[(1-methylpyrazol-4-yl)methyl-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 111799415
5-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2,2-dimethylpentanenitrile
CID 111565121
2-[2-(benzenesulfinyl)ethyl-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
CID 111333651
(E)-4-(dimethylamino)-N-(3-hydroxypropyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)but-2-enamide
CID 146098026
2-(2-methoxyethoxy)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 103601646

Frequently Asked Questions

What is the IUPAC name of 3-[3-methoxypropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol?
The IUPAC name of 3-[3-methoxypropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol (CID 111799443) is 3-[3-methoxypropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[3-methoxypropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol?
The canonical SMILES for 3-[3-methoxypropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol is COCCCN(CCCO)C1CCCc2ccccc21.
What is the InChIKey of 3-[3-methoxypropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol?
The InChIKey is NGIJJMRYDZPQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-20-14-6-12-18(11-5-13-19)17-10-4-8-15-7-2-3-9-16(15)17/h2-3,7,9,17,19H,4-6,8,10-14H2,1H3.
What are the key properties of 3-[3-methoxypropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol?
3-[3-methoxypropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methoxypropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol is sourced from PubChem (CID 111799443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).