(1R,2S)-1-amino-1-(4-methylnaphthalen-1-yl)pentan-2-ol;hydrochloride

C16H22ClNO — CID 171263797

IUPAC(1R,2S)-1-amino-1-(4-methylnaphthalen-1-yl)pentan-2-ol;hydrochloride
SMILESCCC[C@H](O)[C@H](N)c1ccc(C)c2ccccc12.Cl
InChIInChI=1S/C16H21NO.ClH/c1-3-6-15(18)16(17)14-10-9-11(2)12-7-4-5-8-13(12)14;/h4-5,7-10,15-16,18H,3,6,17H2,1-2H3;1H/t15-,16+;/m0./s1
InChIKeyJLXCHJVPMAQDRM-IDVLALEDSA-N
MW279.81 g/mol
LogP3.73
Rot. Bonds4

About (1R,2S)-1-amino-1-(4-methylnaphthalen-1-yl)pentan-2-ol;hydrochloride

(1R,2S)-1-amino-1-(4-methylnaphthalen-1-yl)pentan-2-ol;hydrochloride (PubChem CID 171263797) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(4-methylnaphthalen-1-yl)pentan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(4-methylnaphthalen-1-yl)pentan-2-ol;hydrochloride
PubChem CID171263797
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name(1R,2S)-1-amino-1-(4-methylnaphthalen-1-yl)pentan-2-ol;hydrochloride
SMILESCCC[C@H](O)[C@H](N)c1ccc(C)c2ccccc12.Cl
InChIInChI=1S/C16H21NO.ClH/c1-3-6-15(18)16(17)14-10-9-11(2)12-7-4-5-8-13(12)14;/h4-5,7-10,15-16,18H,3,6,17H2,1-2H3;1H/t15-,16+;/m0./s1
InChIKeyJLXCHJVPMAQDRM-IDVLALEDSA-N
XLogP3.73
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(4-methylnaphthalen-1-yl)butan-1-amine;hydrochloride
CID 171228525
(1S,2R)-1-amino-1-(4-methylnaphthalen-1-yl)-3-phenylpropan-2-ol;hydrochloride
CID 171269476
(1S,2R)-1-amino-1-(4-methylnaphthalen-1-yl)propan-2-ol
CID 171269449
(1S,2R)-1-amino-3-methyl-1-(4-methylnaphthalen-1-yl)butan-2-ol;hydrochloride
CID 171269462
1-(4-methylnaphthalen-1-yl)propan-1-ol
CID 10856503
1-(4-methylnaphthalen-1-yl)heptan-1-ol
CID 114753428
(1R)-1-(4-methylnaphthalen-1-yl)hexan-1-amine;hydrochloride
CID 171208944
3-amino-3-(4-methylnaphthalen-1-yl)propan-1-ol;hydrochloride
CID 170874773
(1S,2R)-2-amino-1-cyclopropyl-2-(4-methylnaphthalen-1-yl)ethanol
CID 171263780
(1S)-1-(4-methylnaphthalen-1-yl)hexan-1-amine
CID 171228529
(1R)-1-(4-methylnaphthalen-1-yl)propan-1-amine
CID 78961015
3-amino-1-(4-methylnaphthalen-1-yl)propane-1,2-diol
CID 170828749

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(4-methylnaphthalen-1-yl)pentan-2-ol;hydrochloride?
The IUPAC name of (1R,2S)-1-amino-1-(4-methylnaphthalen-1-yl)pentan-2-ol;hydrochloride (CID 171263797) is (1R,2S)-1-amino-1-(4-methylnaphthalen-1-yl)pentan-2-ol;hydrochloride.
What is the SMILES notation for (1R,2S)-1-amino-1-(4-methylnaphthalen-1-yl)pentan-2-ol;hydrochloride?
The canonical SMILES for (1R,2S)-1-amino-1-(4-methylnaphthalen-1-yl)pentan-2-ol;hydrochloride is CCC[C@H](O)[C@H](N)c1ccc(C)c2ccccc12.Cl.
What is the InChIKey of (1R,2S)-1-amino-1-(4-methylnaphthalen-1-yl)pentan-2-ol;hydrochloride?
The InChIKey is JLXCHJVPMAQDRM-IDVLALEDSA-N. The full InChI is InChI=1S/C16H21NO.ClH/c1-3-6-15(18)16(17)14-10-9-11(2)12-7-4-5-8-13(12)14;/h4-5,7-10,15-16,18H,3,6,17H2,1-2H3;1H/t15-,16+;/m0./s1.
What are the key properties of (1R,2S)-1-amino-1-(4-methylnaphthalen-1-yl)pentan-2-ol;hydrochloride?
(1R,2S)-1-amino-1-(4-methylnaphthalen-1-yl)pentan-2-ol;hydrochloride has a molecular weight of 279.81 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-amino-1-(4-methylnaphthalen-1-yl)pentan-2-ol;hydrochloride is sourced from PubChem (CID 171263797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).