1-(4-aminobutyl)-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol

C15H23NO — CID 117339349

IUPAC1-(4-aminobutyl)-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCc1cc(O)c(CCCCN)c2c1CCCC2
InChIInChI=1S/C15H23NO/c1-11-10-15(17)14(8-4-5-9-16)13-7-3-2-6-12(11)13/h10,17H,2-9,16H2,1H3
InChIKeyNORUYHWRINNXGI-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.86
Rot. Bonds4

About 1-(4-aminobutyl)-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol

1-(4-aminobutyl)-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 117339349) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-(4-aminobutyl)-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name1-(4-aminobutyl)-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID117339349
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-(4-aminobutyl)-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCc1cc(O)c(CCCCN)c2c1CCCC2
InChIInChI=1S/C15H23NO/c1-11-10-15(17)14(8-4-5-9-16)13-7-3-2-6-12(11)13/h10,17H,2-9,16H2,1H3
InChIKeyNORUYHWRINNXGI-UHFFFAOYSA-N
XLogP2.86
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.86
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

4-(2-methoxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)butan-1-amine
CID 117372064
3-(2-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylpropanoic acid
CID 117373995
3-(4-aminobutyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117313250
4-(2,4,6-trimethylphenyl)butan-1-amine
CID 19966399
4-(2,3,5,6-tetramethylphenyl)butan-1-amine
CID 65300958
2-(4-aminobutyl)benzene-1,3-diol
CID 117278743
4-(3-aminopropyl)-2-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 117387867
4-(3,4-dimethylphenyl)butan-1-amine
CID 19797655
6-(2,3,5,6-tetramethylphenyl)hexan-1-amine
CID 65300906
2-(4-aminobutyl)-4-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 117423324
N'-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine
CID 59230333
5-(4-aminobutyl)-2-methylsulfanylphenol
CID 117302194

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminobutyl)-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 1-(4-aminobutyl)-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol (CID 117339349) is 1-(4-aminobutyl)-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 1-(4-aminobutyl)-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 1-(4-aminobutyl)-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol is Cc1cc(O)c(CCCCN)c2c1CCCC2.
What is the InChIKey of 1-(4-aminobutyl)-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is NORUYHWRINNXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-10-15(17)14(8-4-5-9-16)13-7-3-2-6-12(11)13/h10,17H,2-9,16H2,1H3.
What are the key properties of 1-(4-aminobutyl)-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol?
1-(4-aminobutyl)-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 233.35 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminobutyl)-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 117339349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).