(1R,2S)-2-amino-1-(6-methoxynaphthalen-2-yl)hexan-1-ol

C17H23NO2 — CID 71503540

IUPAC(1R,2S)-2-amino-1-(6-methoxynaphthalen-2-yl)hexan-1-ol
SMILESCCCC[C@H](N)[C@H](O)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C17H23NO2/c1-3-4-5-16(18)17(19)14-7-6-13-11-15(20-2)9-8-12(13)10-14/h6-11,16-17,19H,3-5,18H2,1-2H3/t16-,17+/m0/s1
InChIKeySQGLKMROOOKZEJ-DLBZAZTESA-N
MW273.38 g/mol
LogP3.40
Rot. Bonds6

About (1R,2S)-2-amino-1-(6-methoxynaphthalen-2-yl)hexan-1-ol

(1R,2S)-2-amino-1-(6-methoxynaphthalen-2-yl)hexan-1-ol (PubChem CID 71503540) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is (1R,2S)-2-amino-1-(6-methoxynaphthalen-2-yl)hexan-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-amino-1-(6-methoxynaphthalen-2-yl)hexan-1-ol
PubChem CID71503540
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name(1R,2S)-2-amino-1-(6-methoxynaphthalen-2-yl)hexan-1-ol
SMILESCCCC[C@H](N)[C@H](O)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C17H23NO2/c1-3-4-5-16(18)17(19)14-7-6-13-11-15(20-2)9-8-12(13)10-14/h6-11,16-17,19H,3-5,18H2,1-2H3/t16-,17+/m0/s1
InChIKeySQGLKMROOOKZEJ-DLBZAZTESA-N
XLogP3.40
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

amino-(6-methoxynaphthalen-2-yl)methanol
CID 116939708
1-(4-methoxyphenyl)pentan-1-ol
CID 10176510
(1R,2S)-2-amino-1-(3-methoxyphenyl)pentan-1-ol;hydrochloride
CID 66812884
4-chloro-1-(6-methoxynaphthalen-2-yl)butane-1,2-diol
CID 171894610
2,2-dichloro-1-(6-methoxynaphthalen-2-yl)ethanol
CID 164892254
1-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 57010651
butyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 54393649
1-(6-methoxynaphthalen-2-yl)-4-(methylamino)butane-1,2-diol
CID 171891027
(1S)-2-amino-1-(6-methoxynaphthalen-2-yl)ethanol
CID 28743407
(1S)-1-(6-methoxynaphthalen-2-yl)propan-1-amine;hydrochloride
CID 171218899
1,3-diamino-1-(6-methoxynaphthalen-2-yl)propan-2-ol
CID 116942613
(1S)-1-(4-methoxyphenyl)hexan-1-ol
CID 102325483

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-1-(6-methoxynaphthalen-2-yl)hexan-1-ol?
The IUPAC name of (1R,2S)-2-amino-1-(6-methoxynaphthalen-2-yl)hexan-1-ol (CID 71503540) is (1R,2S)-2-amino-1-(6-methoxynaphthalen-2-yl)hexan-1-ol.
What is the SMILES notation for (1R,2S)-2-amino-1-(6-methoxynaphthalen-2-yl)hexan-1-ol?
The canonical SMILES for (1R,2S)-2-amino-1-(6-methoxynaphthalen-2-yl)hexan-1-ol is CCCC[C@H](N)[C@H](O)c1ccc2cc(OC)ccc2c1.
What is the InChIKey of (1R,2S)-2-amino-1-(6-methoxynaphthalen-2-yl)hexan-1-ol?
The InChIKey is SQGLKMROOOKZEJ-DLBZAZTESA-N. The full InChI is InChI=1S/C17H23NO2/c1-3-4-5-16(18)17(19)14-7-6-13-11-15(20-2)9-8-12(13)10-14/h6-11,16-17,19H,3-5,18H2,1-2H3/t16-,17+/m0/s1.
What are the key properties of (1R,2S)-2-amino-1-(6-methoxynaphthalen-2-yl)hexan-1-ol?
(1R,2S)-2-amino-1-(6-methoxynaphthalen-2-yl)hexan-1-ol has a molecular weight of 273.38 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-amino-1-(6-methoxynaphthalen-2-yl)hexan-1-ol is sourced from PubChem (CID 71503540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).