(2S)-2-amino-2-[(2R)-6-heptoxy-1,2,3,4-tetrahydronaphthalen-2-yl]propan-1-ol

C20H33NO2 — CID 71030338

IUPAC(2S)-2-amino-2-[(2R)-6-heptoxy-1,2,3,4-tetrahydronaphthalen-2-yl]propan-1-ol
SMILESCCCCCCCOc1ccc2c(c1)CC[C@@H]([C@](C)(N)CO)C2
InChIInChI=1S/C20H33NO2/c1-3-4-5-6-7-12-23-19-11-9-16-13-18(20(2,21)15-22)10-8-17(16)14-19/h9,11,14,18,22H,3-8,10,12-13,15,21H2,1-2H3/t18-,20-/m1/s1
InChIKeyDJCPBOWKDTWGEN-UYAOXDASSA-N
MW319.49 g/mol
LogP3.85
Rot. Bonds9

About (2S)-2-amino-2-[(2R)-6-heptoxy-1,2,3,4-tetrahydronaphthalen-2-yl]propan-1-ol

(2S)-2-amino-2-[(2R)-6-heptoxy-1,2,3,4-tetrahydronaphthalen-2-yl]propan-1-ol (PubChem CID 71030338) has the molecular formula C20H33NO2 and a molecular weight of 319.49 g/mol. Its IUPAC name is (2S)-2-amino-2-[(2R)-6-heptoxy-1,2,3,4-tetrahydronaphthalen-2-yl]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-2-[(2R)-6-heptoxy-1,2,3,4-tetrahydronaphthalen-2-yl]propan-1-ol
PubChem CID71030338
Molecular FormulaC20H33NO2
Molecular Weight319.49 g/mol
Exact Mass319.25
IUPAC Name(2S)-2-amino-2-[(2R)-6-heptoxy-1,2,3,4-tetrahydronaphthalen-2-yl]propan-1-ol
SMILESCCCCCCCOc1ccc2c(c1)CC[C@@H]([C@](C)(N)CO)C2
InChIInChI=1S/C20H33NO2/c1-3-4-5-6-7-12-23-19-11-9-16-13-18(20(2,21)15-22)10-8-17(16)14-19/h9,11,14,18,22H,3-8,10,12-13,15,21H2,1-2H3/t18-,20-/m1/s1
InChIKeyDJCPBOWKDTWGEN-UYAOXDASSA-N
XLogP3.85
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2S)-6-heptoxy-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-amine
CID 71030229
2-amino-2-(2-heptoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)propane-1,3-diol
CID 25018295
2-amino-2-[6-(2-butoxyethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]propane-1,3-diol
CID 24877337
2-amino-2-(2-octyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)propan-1-ol
CID 25018299
(2S)-2-amino-2-[(7S)-3-octyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]propan-1-ol
CID 71098235
5-octoxy-2,3-dihydro-1H-inden-1-ol
CID 107684624
6-butoxy-2-(6-hexoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 22385280
[(2S)-2-amino-2-[(2R)-6-octyl-1,2,3,4-tetrahydronaphthalen-2-yl]propyl] dihydrogen phosphate
CID 25192006
2-ethyl-6-(4-heptoxyphenyl)-1,2,3,4-tetrahydronaphthalene
CID 20500196
(2R)-2-amino-2-(3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)propan-1-ol
CID 143681540
6-[[4-(4-decoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 19070004
[2-amino-3-hydroxy-2-[(2R)-6-octyl-1,2,3,4-tetrahydronaphthalen-2-yl]propoxy]-trihydroxyphosphanium
CID 70846424

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[(2R)-6-heptoxy-1,2,3,4-tetrahydronaphthalen-2-yl]propan-1-ol?
The IUPAC name of (2S)-2-amino-2-[(2R)-6-heptoxy-1,2,3,4-tetrahydronaphthalen-2-yl]propan-1-ol (CID 71030338) is (2S)-2-amino-2-[(2R)-6-heptoxy-1,2,3,4-tetrahydronaphthalen-2-yl]propan-1-ol.
What is the SMILES notation for (2S)-2-amino-2-[(2R)-6-heptoxy-1,2,3,4-tetrahydronaphthalen-2-yl]propan-1-ol?
The canonical SMILES for (2S)-2-amino-2-[(2R)-6-heptoxy-1,2,3,4-tetrahydronaphthalen-2-yl]propan-1-ol is CCCCCCCOc1ccc2c(c1)CC[C@@H]([C@](C)(N)CO)C2.
What is the InChIKey of (2S)-2-amino-2-[(2R)-6-heptoxy-1,2,3,4-tetrahydronaphthalen-2-yl]propan-1-ol?
The InChIKey is DJCPBOWKDTWGEN-UYAOXDASSA-N. The full InChI is InChI=1S/C20H33NO2/c1-3-4-5-6-7-12-23-19-11-9-16-13-18(20(2,21)15-22)10-8-17(16)14-19/h9,11,14,18,22H,3-8,10,12-13,15,21H2,1-2H3/t18-,20-/m1/s1.
What are the key properties of (2S)-2-amino-2-[(2R)-6-heptoxy-1,2,3,4-tetrahydronaphthalen-2-yl]propan-1-ol?
(2S)-2-amino-2-[(2R)-6-heptoxy-1,2,3,4-tetrahydronaphthalen-2-yl]propan-1-ol has a molecular weight of 319.49 g/mol, XLogP of 3.85, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-[(2R)-6-heptoxy-1,2,3,4-tetrahydronaphthalen-2-yl]propan-1-ol is sourced from PubChem (CID 71030338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).