(1R)-2-methyl-1-naphthalen-1-ylbutan-1-amine;hydrochloride

C15H20ClN — CID 171212055

IUPAC(1R)-2-methyl-1-naphthalen-1-ylbutan-1-amine;hydrochloride
SMILESCCC(C)[C@@H](N)c1cccc2ccccc12.Cl
InChIInChI=1S/C15H19N.ClH/c1-3-11(2)15(16)14-10-6-8-12-7-4-5-9-13(12)14;/h4-11,15H,3,16H2,1-2H3;1H/t11?,15-;/m1./s1
InChIKeyGLVVDFBFWUFOED-NEIGUCDHSA-N
MW249.79 g/mol
LogP4.31
Rot. Bonds3

About (1R)-2-methyl-1-naphthalen-1-ylbutan-1-amine;hydrochloride

(1R)-2-methyl-1-naphthalen-1-ylbutan-1-amine;hydrochloride (PubChem CID 171212055) has the molecular formula C15H20ClN and a molecular weight of 249.79 g/mol. Its IUPAC name is (1R)-2-methyl-1-naphthalen-1-ylbutan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-2-methyl-1-naphthalen-1-ylbutan-1-amine;hydrochloride
PubChem CID171212055
Molecular FormulaC15H20ClN
Molecular Weight249.79 g/mol
Exact Mass249.13
IUPAC Name(1R)-2-methyl-1-naphthalen-1-ylbutan-1-amine;hydrochloride
SMILESCCC(C)[C@@H](N)c1cccc2ccccc12.Cl
InChIInChI=1S/C15H19N.ClH/c1-3-11(2)15(16)14-10-6-8-12-7-4-5-9-13(12)14;/h4-11,15H,3,16H2,1-2H3;1H/t11?,15-;/m1./s1
InChIKeyGLVVDFBFWUFOED-NEIGUCDHSA-N
XLogP4.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.79
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-isoquinolin-5-yl-2-methylbutan-1-amine
CID 63719434
2-methyl-1-naphthalen-1-ylpropan-1-amine
CID 14948205
2-methyl-1-(5-methylnaphthalen-1-yl)butan-1-amine
CID 139609928
(1R,2S)-1-amino-1-naphthalen-1-ylbutan-2-ol
CID 171161126
(1S)-1-(2,3-dimethoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171218798
(1R)-1-(3-fluoro-2-methoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171201759
4-[(1R)-1-amino-2-methylbutyl]naphthalen-1-ol
CID 171208917
1-(1-benzothiophen-7-yl)-2-methylbutan-1-amine
CID 81154241
deuterium monohydride;(1R)-1-naphthalen-1-ylethanamine
CID 158157747
(1R)-1-(2,3-dimethylphenyl)-2-methylbutan-1-amine
CID 130806142
2-cyclopropyl-1-naphthalen-1-ylpropan-1-amine
CID 83153913
3-methyl-N-(1-naphthalen-1-ylethyl)pentan-2-amine
CID 43101275

Frequently Asked Questions

What is the IUPAC name of (1R)-2-methyl-1-naphthalen-1-ylbutan-1-amine;hydrochloride?
The IUPAC name of (1R)-2-methyl-1-naphthalen-1-ylbutan-1-amine;hydrochloride (CID 171212055) is (1R)-2-methyl-1-naphthalen-1-ylbutan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-2-methyl-1-naphthalen-1-ylbutan-1-amine;hydrochloride?
The canonical SMILES for (1R)-2-methyl-1-naphthalen-1-ylbutan-1-amine;hydrochloride is CCC(C)[C@@H](N)c1cccc2ccccc12.Cl.
What is the InChIKey of (1R)-2-methyl-1-naphthalen-1-ylbutan-1-amine;hydrochloride?
The InChIKey is GLVVDFBFWUFOED-NEIGUCDHSA-N. The full InChI is InChI=1S/C15H19N.ClH/c1-3-11(2)15(16)14-10-6-8-12-7-4-5-9-13(12)14;/h4-11,15H,3,16H2,1-2H3;1H/t11?,15-;/m1./s1.
What are the key properties of (1R)-2-methyl-1-naphthalen-1-ylbutan-1-amine;hydrochloride?
(1R)-2-methyl-1-naphthalen-1-ylbutan-1-amine;hydrochloride has a molecular weight of 249.79 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-methyl-1-naphthalen-1-ylbutan-1-amine;hydrochloride is sourced from PubChem (CID 171212055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).