(1R)-1-(4-methoxynaphthalen-1-yl)-3-methylbutan-1-amine;hydrochloride

C16H22ClNO — CID 171213236

IUPAC(1R)-1-(4-methoxynaphthalen-1-yl)-3-methylbutan-1-amine;hydrochloride
SMILESCOc1ccc([C@H](N)CC(C)C)c2ccccc12.Cl
InChIInChI=1S/C16H21NO.ClH/c1-11(2)10-15(17)13-8-9-16(18-3)14-7-5-4-6-12(13)14;/h4-9,11,15H,10,17H2,1-3H3;1H/t15-;/m1./s1
InChIKeyVPUBWWSVHLCLCW-XFULWGLBSA-N
MW279.81 g/mol
LogP4.32
Rot. Bonds4

About (1R)-1-(4-methoxynaphthalen-1-yl)-3-methylbutan-1-amine;hydrochloride

(1R)-1-(4-methoxynaphthalen-1-yl)-3-methylbutan-1-amine;hydrochloride (PubChem CID 171213236) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is (1R)-1-(4-methoxynaphthalen-1-yl)-3-methylbutan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(4-methoxynaphthalen-1-yl)-3-methylbutan-1-amine;hydrochloride
PubChem CID171213236
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name(1R)-1-(4-methoxynaphthalen-1-yl)-3-methylbutan-1-amine;hydrochloride
SMILESCOc1ccc([C@H](N)CC(C)C)c2ccccc12.Cl
InChIInChI=1S/C16H21NO.ClH/c1-11(2)10-15(17)13-8-9-16(18-3)14-7-5-4-6-12(13)14;/h4-9,11,15H,10,17H2,1-3H3;1H/t15-;/m1./s1
InChIKeyVPUBWWSVHLCLCW-XFULWGLBSA-N
XLogP4.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(2-chloro-3,4-dimethoxyphenyl)-3-methylbutan-1-amine
CID 171221545
(1R)-1-(4-methoxynaphthalen-1-yl)hexan-1-amine;hydrochloride
CID 171213235
(1S)-1-(4-methoxynaphthalen-1-yl)but-3-en-1-amine
CID 171232852
(3S)-3-amino-3-(4-methoxynaphthalen-1-yl)propanenitrile
CID 171260239
methyl 3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride
CID 2945069
methyl (3S)-3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride
CID 171245129
ethyl 3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride
CID 2945823
(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171216456
(1R)-1-(4-methoxynaphthalen-1-yl)ethanol
CID 82758527
1-(4-methoxynaphthalen-1-yl)-3-methyl-N-propylbutan-1-amine
CID 43494411
(1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171205367
(1R)-1-(5-bromo-2-methoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171201596

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-methoxynaphthalen-1-yl)-3-methylbutan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(4-methoxynaphthalen-1-yl)-3-methylbutan-1-amine;hydrochloride (CID 171213236) is (1R)-1-(4-methoxynaphthalen-1-yl)-3-methylbutan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(4-methoxynaphthalen-1-yl)-3-methylbutan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(4-methoxynaphthalen-1-yl)-3-methylbutan-1-amine;hydrochloride is COc1ccc([C@H](N)CC(C)C)c2ccccc12.Cl.
What is the InChIKey of (1R)-1-(4-methoxynaphthalen-1-yl)-3-methylbutan-1-amine;hydrochloride?
The InChIKey is VPUBWWSVHLCLCW-XFULWGLBSA-N. The full InChI is InChI=1S/C16H21NO.ClH/c1-11(2)10-15(17)13-8-9-16(18-3)14-7-5-4-6-12(13)14;/h4-9,11,15H,10,17H2,1-3H3;1H/t15-;/m1./s1.
What are the key properties of (1R)-1-(4-methoxynaphthalen-1-yl)-3-methylbutan-1-amine;hydrochloride?
(1R)-1-(4-methoxynaphthalen-1-yl)-3-methylbutan-1-amine;hydrochloride has a molecular weight of 279.81 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-methoxynaphthalen-1-yl)-3-methylbutan-1-amine;hydrochloride is sourced from PubChem (CID 171213236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).