(1R)-3-methyl-1-naphthalen-2-ylbutan-1-amine;hydrochloride

C15H20ClN — CID 171201317

IUPAC(1R)-3-methyl-1-naphthalen-2-ylbutan-1-amine;hydrochloride
SMILESCC(C)C[C@@H](N)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C15H19N.ClH/c1-11(2)9-15(16)14-8-7-12-5-3-4-6-13(12)10-14;/h3-8,10-11,15H,9,16H2,1-2H3;1H/t15-;/m1./s1
InChIKeySJSWLIJAWXJEAY-XFULWGLBSA-N
MW249.79 g/mol
LogP4.31
Rot. Bonds3

About (1R)-3-methyl-1-naphthalen-2-ylbutan-1-amine;hydrochloride

(1R)-3-methyl-1-naphthalen-2-ylbutan-1-amine;hydrochloride (PubChem CID 171201317) has the molecular formula C15H20ClN and a molecular weight of 249.79 g/mol. Its IUPAC name is (1R)-3-methyl-1-naphthalen-2-ylbutan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-3-methyl-1-naphthalen-2-ylbutan-1-amine;hydrochloride
PubChem CID171201317
Molecular FormulaC15H20ClN
Molecular Weight249.79 g/mol
Exact Mass249.13
IUPAC Name(1R)-3-methyl-1-naphthalen-2-ylbutan-1-amine;hydrochloride
SMILESCC(C)C[C@@H](N)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C15H19N.ClH/c1-11(2)9-15(16)14-8-7-12-5-3-4-6-13(12)10-14;/h3-8,10-11,15H,9,16H2,1-2H3;1H/t15-;/m1./s1
InChIKeySJSWLIJAWXJEAY-XFULWGLBSA-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

2-(4-methylpentan-2-yloxy)-1-naphthalen-2-ylethanamine
CID 43105278
1-naphthalen-2-ylethanamine
CID 3857145
3-methyl-1-naphthalen-2-ylbutan-1-ol
CID 62717256
(1S)-1-naphthalen-2-ylbutan-1-amine
CID 55254735
(1S)-3-methyl-1-(3-propan-2-ylphenyl)butan-1-amine
CID 71074498
(1R)-1-naphthalen-2-ylpentan-1-amine
CID 171201313
(3S)-3-amino-3-naphthalen-2-ylpropan-1-ol;hydrochloride
CID 171220879
(1R)-1-(3,4-diphenoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171198444
(1S)-1-(3,4-diphenoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171217962
(1R)-3-methyl-1-phenylbutan-1-amine
CID 2496575
(1S)-1-naphthalen-2-ylpentane-1,5-diamine;hydrochloride
CID 171220846
3-methyl-1-naphthalen-2-ylbutane-1,3-diamine
CID 116933649

Frequently Asked Questions

What is the IUPAC name of (1R)-3-methyl-1-naphthalen-2-ylbutan-1-amine;hydrochloride?
The IUPAC name of (1R)-3-methyl-1-naphthalen-2-ylbutan-1-amine;hydrochloride (CID 171201317) is (1R)-3-methyl-1-naphthalen-2-ylbutan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-3-methyl-1-naphthalen-2-ylbutan-1-amine;hydrochloride?
The canonical SMILES for (1R)-3-methyl-1-naphthalen-2-ylbutan-1-amine;hydrochloride is CC(C)C[C@@H](N)c1ccc2ccccc2c1.Cl.
What is the InChIKey of (1R)-3-methyl-1-naphthalen-2-ylbutan-1-amine;hydrochloride?
The InChIKey is SJSWLIJAWXJEAY-XFULWGLBSA-N. The full InChI is InChI=1S/C15H19N.ClH/c1-11(2)9-15(16)14-8-7-12-5-3-4-6-13(12)10-14;/h3-8,10-11,15H,9,16H2,1-2H3;1H/t15-;/m1./s1.
What are the key properties of (1R)-3-methyl-1-naphthalen-2-ylbutan-1-amine;hydrochloride?
(1R)-3-methyl-1-naphthalen-2-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)-3-methyl-1-naphthalen-2-ylbutan-1-amine;hydrochloride is sourced from PubChem (CID 171201317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).