4-[(1R)-1-amino-2-methylbutyl]naphthalen-1-ol

C15H19NO — CID 171208917

IUPAC4-[(1R)-1-amino-2-methylbutyl]naphthalen-1-ol
SMILESCCC(C)[C@@H](N)c1ccc(O)c2ccccc12
InChIInChI=1S/C15H19NO/c1-3-10(2)15(16)13-8-9-14(17)12-7-5-4-6-11(12)13/h4-10,15,17H,3,16H2,1-2H3/t10?,15-/m1/s1
InChIKeyRBYIHBVETSGSIT-GENIYJEYSA-N
MW229.32 g/mol
LogP3.59
Rot. Bonds3

About 4-[(1R)-1-amino-2-methylbutyl]naphthalen-1-ol

4-[(1R)-1-amino-2-methylbutyl]naphthalen-1-ol (PubChem CID 171208917) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-[(1R)-1-amino-2-methylbutyl]naphthalen-1-ol.

Molecular Properties

Compound Name4-[(1R)-1-amino-2-methylbutyl]naphthalen-1-ol
PubChem CID171208917
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name4-[(1R)-1-amino-2-methylbutyl]naphthalen-1-ol
SMILESCCC(C)[C@@H](N)c1ccc(O)c2ccccc12
InChIInChI=1S/C15H19NO/c1-3-10(2)15(16)13-8-9-14(17)12-7-5-4-6-11(12)13/h4-10,15,17H,3,16H2,1-2H3/t10?,15-/m1/s1
InChIKeyRBYIHBVETSGSIT-GENIYJEYSA-N
XLogP3.59
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-aminopropyl)naphthalen-1-ol
CID 82263143
(1R)-2-methyl-1-naphthalen-1-ylbutan-1-amine;hydrochloride
CID 171212055
2-methyl-1-(5-methylnaphthalen-1-yl)butan-1-amine
CID 139609928
4-[(1S)-1-aminobutyl]naphthalen-1-ol;hydrochloride
CID 171228471
4-(1-methoxyethyl)naphthalen-1-ol
CID 102547369
4-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]naphthalen-1-ol
CID 171263774
2-methylpropane;naphthalene-1,4-diol
CID 144756444
4-[(1S)-1,3-diaminopropyl]naphthalen-1-ol
CID 171228462
4-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]naphthalen-1-ol
CID 171269425
methyl (2S)-2-amino-2-(4-hydroxynaphthalen-1-yl)acetate;hydrochloride
CID 171208922
2-amino-3-(4-hydroxynaphthalen-1-yl)butanoic acid
CID 168884973
(1R)-1-(1H-indol-3-yl)-2-methylbutan-1-amine
CID 171197987

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-amino-2-methylbutyl]naphthalen-1-ol?
The IUPAC name of 4-[(1R)-1-amino-2-methylbutyl]naphthalen-1-ol (CID 171208917) is 4-[(1R)-1-amino-2-methylbutyl]naphthalen-1-ol.
What is the SMILES notation for 4-[(1R)-1-amino-2-methylbutyl]naphthalen-1-ol?
The canonical SMILES for 4-[(1R)-1-amino-2-methylbutyl]naphthalen-1-ol is CCC(C)[C@@H](N)c1ccc(O)c2ccccc12.
What is the InChIKey of 4-[(1R)-1-amino-2-methylbutyl]naphthalen-1-ol?
The InChIKey is RBYIHBVETSGSIT-GENIYJEYSA-N. The full InChI is InChI=1S/C15H19NO/c1-3-10(2)15(16)13-8-9-14(17)12-7-5-4-6-11(12)13/h4-10,15,17H,3,16H2,1-2H3/t10?,15-/m1/s1.
What are the key properties of 4-[(1R)-1-amino-2-methylbutyl]naphthalen-1-ol?
4-[(1R)-1-amino-2-methylbutyl]naphthalen-1-ol has a molecular weight of 229.32 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-amino-2-methylbutyl]naphthalen-1-ol is sourced from PubChem (CID 171208917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).