3-(4-aminobutyl)-5,6,7,8-tetrahydronaphthalen-2-ol

C14H21NO — CID 117313250

IUPAC3-(4-aminobutyl)-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESNCCCCc1cc2c(cc1O)CCCC2
InChIInChI=1S/C14H21NO/c15-8-4-3-7-13-9-11-5-1-2-6-12(11)10-14(13)16/h9-10,16H,1-8,15H2
InChIKeyCYKRVZUXGNSNQK-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.55
Rot. Bonds4

About 3-(4-aminobutyl)-5,6,7,8-tetrahydronaphthalen-2-ol

3-(4-aminobutyl)-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 117313250) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-(4-aminobutyl)-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name3-(4-aminobutyl)-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID117313250
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-(4-aminobutyl)-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESNCCCCc1cc2c(cc1O)CCCC2
InChIInChI=1S/C14H21NO/c15-8-4-3-7-13-9-11-5-1-2-6-12(11)10-14(13)16/h9-10,16H,1-8,15H2
InChIKeyCYKRVZUXGNSNQK-UHFFFAOYSA-N
XLogP2.55
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminobutyl)-4,5-difluorophenol
CID 117289972
2-(4-aminobutyl)-4-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 117423324
6-(2-hydroxyethyl)-2,3-dihydro-1H-inden-5-ol
CID 117277759
2-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 117283969
2-(4-aminobutyl)-4-bromo-5-fluorophenol
CID 117409491
6-[2-(1-aminocyclopropyl)ethyl]-2,3-dihydro-1H-inden-5-ol
CID 105471605
3-(2-amino-2-methylpropyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117313360
1-(4-aminobutyl)-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117339349
8-(3-aminopropyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
CID 117319795
2-(3-aminopropyl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 117294086
3-(4-aminobutyl)-6-bromonaphthalen-2-ol
CID 117474498
2,3-dihydro-1H-indene-5,6-diol
CID 13058959

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminobutyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 3-(4-aminobutyl)-5,6,7,8-tetrahydronaphthalen-2-ol (CID 117313250) is 3-(4-aminobutyl)-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 3-(4-aminobutyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 3-(4-aminobutyl)-5,6,7,8-tetrahydronaphthalen-2-ol is NCCCCc1cc2c(cc1O)CCCC2.
What is the InChIKey of 3-(4-aminobutyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is CYKRVZUXGNSNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c15-8-4-3-7-13-9-11-5-1-2-6-12(11)10-14(13)16/h9-10,16H,1-8,15H2.
What are the key properties of 3-(4-aminobutyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
3-(4-aminobutyl)-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 219.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminobutyl)-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 117313250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).