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

C20H33NO — CID 71030229

IUPAC2-[(2S)-6-heptoxy-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-amine
SMILESCCCCCCCOc1ccc2c(c1)CC[C@H](C(C)(C)N)C2
InChIInChI=1S/C20H33NO/c1-4-5-6-7-8-13-22-19-12-10-16-14-18(20(2,3)21)11-9-17(16)15-19/h10,12,15,18H,4-9,11,13-14,21H2,1-3H3/t18-/m0/s1
InChIKeyXDDGKFVYRGFRHT-SFHVURJKSA-N
MW303.49 g/mol
LogP4.88
Rot. Bonds8

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

2-[(2S)-6-heptoxy-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-amine (PubChem CID 71030229) has the molecular formula C20H33NO and a molecular weight of 303.49 g/mol. Its IUPAC name is 2-[(2S)-6-heptoxy-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-amine.

Molecular Properties

Compound Name2-[(2S)-6-heptoxy-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-amine
PubChem CID71030229
Molecular FormulaC20H33NO
Molecular Weight303.49 g/mol
Exact Mass303.26
IUPAC Name2-[(2S)-6-heptoxy-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-amine
SMILESCCCCCCCOc1ccc2c(c1)CC[C@H](C(C)(C)N)C2
InChIInChI=1S/C20H33NO/c1-4-5-6-7-8-13-22-19-12-10-16-14-18(20(2,3)21)11-9-17(16)15-19/h10,12,15,18H,4-9,11,13-14,21H2,1-3H3/t18-/m0/s1
InChIKeyXDDGKFVYRGFRHT-SFHVURJKSA-N
XLogP4.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(2S)-6-heptoxy-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-amine 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

(2S)-2-amino-2-[(2R)-6-heptoxy-1,2,3,4-tetrahydronaphthalen-2-yl]propan-1-ol
CID 71030338
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-ethyl-6-(4-heptoxyphenyl)-1,2,3,4-tetrahydronaphthalene
CID 20500196
2-hexyl-6-(4-pentoxyphenyl)-1,2,3,4-tetrahydronaphthalene
CID 20500404
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
5-octoxy-2,3-dihydro-1H-inden-1-ol
CID 107684624
2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-6-pentoxy-1,2,3,4-tetrahydronaphthalene
CID 139848959
[(2S)-2-amino-2-[(2R)-6-octyl-1,2,3,4-tetrahydronaphthalen-2-yl]propyl] dihydrogen phosphate
CID 25192006
6-[[4-(4-decoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 19070004
2-pentyl-6-(4-propoxyphenyl)-1,2,3,4-tetrahydronaphthalene
CID 20500384
2-[(6R,8aR)-6-but-3-enyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-6-hexoxy-1,2,3,4-tetrahydronaphthalene
CID 20808572

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-6-heptoxy-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-amine?
The IUPAC name of 2-[(2S)-6-heptoxy-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-amine (CID 71030229) is 2-[(2S)-6-heptoxy-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-amine.
What is the SMILES notation for 2-[(2S)-6-heptoxy-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-amine?
The canonical SMILES for 2-[(2S)-6-heptoxy-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-amine is CCCCCCCOc1ccc2c(c1)CC[C@H](C(C)(C)N)C2.
What is the InChIKey of 2-[(2S)-6-heptoxy-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-amine?
The InChIKey is XDDGKFVYRGFRHT-SFHVURJKSA-N. The full InChI is InChI=1S/C20H33NO/c1-4-5-6-7-8-13-22-19-12-10-16-14-18(20(2,3)21)11-9-17(16)15-19/h10,12,15,18H,4-9,11,13-14,21H2,1-3H3/t18-/m0/s1.
What are the key properties of 2-[(2S)-6-heptoxy-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-amine?
2-[(2S)-6-heptoxy-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-amine has a molecular weight of 303.49 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-6-heptoxy-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-amine is sourced from PubChem (CID 71030229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).