(1R,2S)-1-amino-1-(2-methoxynaphthalen-1-yl)-5-methylhexan-2-ol;hydrochloride

C18H26ClNO2 — CID 171264846

IUPAC(1R,2S)-1-amino-1-(2-methoxynaphthalen-1-yl)-5-methylhexan-2-ol;hydrochloride
SMILESCOc1ccc2ccccc2c1[C@@H](N)[C@@H](O)CCC(C)C.Cl
InChIInChI=1S/C18H25NO2.ClH/c1-12(2)8-10-15(20)18(19)17-14-7-5-4-6-13(14)9-11-16(17)21-3;/h4-7,9,11-12,15,18,20H,8,10,19H2,1-3H3;1H/t15-,18-;/m0./s1
InChIKeySUWPEDOQFBTVKO-NKGQWRHHSA-N
MW323.86 g/mol
LogP4.07
Rot. Bonds6

About (1R,2S)-1-amino-1-(2-methoxynaphthalen-1-yl)-5-methylhexan-2-ol;hydrochloride

(1R,2S)-1-amino-1-(2-methoxynaphthalen-1-yl)-5-methylhexan-2-ol;hydrochloride (PubChem CID 171264846) has the molecular formula C18H26ClNO2 and a molecular weight of 323.86 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(2-methoxynaphthalen-1-yl)-5-methylhexan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(2-methoxynaphthalen-1-yl)-5-methylhexan-2-ol;hydrochloride
PubChem CID171264846
Molecular FormulaC18H26ClNO2
Molecular Weight323.86 g/mol
Exact Mass323.17
IUPAC Name(1R,2S)-1-amino-1-(2-methoxynaphthalen-1-yl)-5-methylhexan-2-ol;hydrochloride
SMILESCOc1ccc2ccccc2c1[C@@H](N)[C@@H](O)CCC(C)C.Cl
InChIInChI=1S/C18H25NO2.ClH/c1-12(2)8-10-15(20)18(19)17-14-7-5-4-6-13(14)9-11-16(17)21-3;/h4-7,9,11-12,15,18,20H,8,10,19H2,1-3H3;1H/t15-,18-;/m0./s1
InChIKeySUWPEDOQFBTVKO-NKGQWRHHSA-N
XLogP4.07
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.86
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 171260723
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CID 65146073
(1R,2S)-1-amino-1-anthracen-9-yl-5-methylhexan-2-ol
CID 171260722
(1S,2R)-1-amino-1-(2,6-dimethoxyphenyl)-5-methylhexan-2-ol
CID 171267104
(1R)-1-(2-methoxynaphthalen-1-yl)-2-methylbutan-1-amine;hydrochloride
CID 171212960
1-(2-methoxynaphthalen-1-yl)-3-methylbutan-1-ol
CID 63895549
(1S)-1-(2-methoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride
CID 171232538
(1S,2R)-1-amino-5-methyl-1-(2,4,6-trimethoxyphenyl)hexan-2-ol;hydrochloride
CID 171267048
(1S,2R)-1-amino-5-methyl-1-phenanthren-9-ylhexan-2-ol;hydrochloride
CID 171270487
(1S,2R)-1-amino-5-methyl-1-(2,4,6-trimethoxyphenyl)hexan-2-ol
CID 171267047
(1S,2R)-1-amino-1-(2,3-dimethoxyphenyl)-5-methylhexan-2-ol
CID 171266758
4-bromo-1-(2-methoxynaphthalen-1-yl)butane-1,2-diol
CID 171892817

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(2-methoxynaphthalen-1-yl)-5-methylhexan-2-ol;hydrochloride?
The IUPAC name of (1R,2S)-1-amino-1-(2-methoxynaphthalen-1-yl)-5-methylhexan-2-ol;hydrochloride (CID 171264846) is (1R,2S)-1-amino-1-(2-methoxynaphthalen-1-yl)-5-methylhexan-2-ol;hydrochloride.
What is the SMILES notation for (1R,2S)-1-amino-1-(2-methoxynaphthalen-1-yl)-5-methylhexan-2-ol;hydrochloride?
The canonical SMILES for (1R,2S)-1-amino-1-(2-methoxynaphthalen-1-yl)-5-methylhexan-2-ol;hydrochloride is COc1ccc2ccccc2c1[C@@H](N)[C@@H](O)CCC(C)C.Cl.
What is the InChIKey of (1R,2S)-1-amino-1-(2-methoxynaphthalen-1-yl)-5-methylhexan-2-ol;hydrochloride?
The InChIKey is SUWPEDOQFBTVKO-NKGQWRHHSA-N. The full InChI is InChI=1S/C18H25NO2.ClH/c1-12(2)8-10-15(20)18(19)17-14-7-5-4-6-13(14)9-11-16(17)21-3;/h4-7,9,11-12,15,18,20H,8,10,19H2,1-3H3;1H/t15-,18-;/m0./s1.
What are the key properties of (1R,2S)-1-amino-1-(2-methoxynaphthalen-1-yl)-5-methylhexan-2-ol;hydrochloride?
(1R,2S)-1-amino-1-(2-methoxynaphthalen-1-yl)-5-methylhexan-2-ol;hydrochloride has a molecular weight of 323.86 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-amino-1-(2-methoxynaphthalen-1-yl)-5-methylhexan-2-ol;hydrochloride is sourced from PubChem (CID 171264846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).