(1R,2S)-1-amino-5-methyl-1-(2,3,4,5,6-pentamethylphenyl)hexan-2-ol

C18H31NO — CID 171265016

IUPAC(1R,2S)-1-amino-5-methyl-1-(2,3,4,5,6-pentamethylphenyl)hexan-2-ol
SMILESCc1c(C)c(C)c([C@@H](N)[C@@H](O)CCC(C)C)c(C)c1C
InChIInChI=1S/C18H31NO/c1-10(2)8-9-16(20)18(19)17-14(6)12(4)11(3)13(5)15(17)7/h10,16,18,20H,8-9,19H2,1-7H3/t16-,18-/m0/s1
InChIKeyQOTKCPMONOVBGI-WMZOPIPTSA-N
MW277.45 g/mol
LogP4.03
Rot. Bonds5

About (1R,2S)-1-amino-5-methyl-1-(2,3,4,5,6-pentamethylphenyl)hexan-2-ol

(1R,2S)-1-amino-5-methyl-1-(2,3,4,5,6-pentamethylphenyl)hexan-2-ol (PubChem CID 171265016) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is (1R,2S)-1-amino-5-methyl-1-(2,3,4,5,6-pentamethylphenyl)hexan-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-amino-5-methyl-1-(2,3,4,5,6-pentamethylphenyl)hexan-2-ol
PubChem CID171265016
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name(1R,2S)-1-amino-5-methyl-1-(2,3,4,5,6-pentamethylphenyl)hexan-2-ol
SMILESCc1c(C)c(C)c([C@@H](N)[C@@H](O)CCC(C)C)c(C)c1C
InChIInChI=1S/C18H31NO/c1-10(2)8-9-16(20)18(19)17-14(6)12(4)11(3)13(5)15(17)7/h10,16,18,20H,8-9,19H2,1-7H3/t16-,18-/m0/s1
InChIKeyQOTKCPMONOVBGI-WMZOPIPTSA-N
XLogP4.03
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-1-amino-1-(2,3,4,5,6-pentamethylphenyl)butan-2-ol
CID 171270667
2-[(1R,2S)-1-amino-2-hydroxy-5-methylhexyl]benzene-1,3,5-triol
CID 171266400
(1R,2S)-1-amino-1-(2,6-difluoro-3-methylphenyl)-5-methylhexan-2-ol
CID 171264115
(1R,2S)-1-amino-1-(2,6-difluoro-3-methylphenyl)-5-methylhexan-2-ol;hydrochloride
CID 171264116
(1R,2S)-1-amino-1-(2,6-difluorophenyl)-5-methylhexan-2-ol;hydrochloride
CID 171262192
(1S,2R)-1-amino-1-(2,3,4,5,6-pentamethylphenyl)propan-2-ol;hydrochloride
CID 171270666
(1S,2R)-1-amino-1-(6-chloro-2-fluoro-3-methylphenyl)-5-methylhexan-2-ol
CID 171269558
(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
(1S,2R)-1-amino-5-methyl-1-(2,4,6-trimethoxyphenyl)hexan-2-ol
CID 171267047
(1R,2S)-1-amino-1-anthracen-9-yl-5-methylhexan-2-ol;hydrochloride
CID 171260723
(1S,2R)-1-amino-1-(2-chloro-3,6-difluorophenyl)-5-methylhexan-2-ol
CID 171269644

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-5-methyl-1-(2,3,4,5,6-pentamethylphenyl)hexan-2-ol?
The IUPAC name of (1R,2S)-1-amino-5-methyl-1-(2,3,4,5,6-pentamethylphenyl)hexan-2-ol (CID 171265016) is (1R,2S)-1-amino-5-methyl-1-(2,3,4,5,6-pentamethylphenyl)hexan-2-ol.
What is the SMILES notation for (1R,2S)-1-amino-5-methyl-1-(2,3,4,5,6-pentamethylphenyl)hexan-2-ol?
The canonical SMILES for (1R,2S)-1-amino-5-methyl-1-(2,3,4,5,6-pentamethylphenyl)hexan-2-ol is Cc1c(C)c(C)c([C@@H](N)[C@@H](O)CCC(C)C)c(C)c1C.
What is the InChIKey of (1R,2S)-1-amino-5-methyl-1-(2,3,4,5,6-pentamethylphenyl)hexan-2-ol?
The InChIKey is QOTKCPMONOVBGI-WMZOPIPTSA-N. The full InChI is InChI=1S/C18H31NO/c1-10(2)8-9-16(20)18(19)17-14(6)12(4)11(3)13(5)15(17)7/h10,16,18,20H,8-9,19H2,1-7H3/t16-,18-/m0/s1.
What are the key properties of (1R,2S)-1-amino-5-methyl-1-(2,3,4,5,6-pentamethylphenyl)hexan-2-ol?
(1R,2S)-1-amino-5-methyl-1-(2,3,4,5,6-pentamethylphenyl)hexan-2-ol has a molecular weight of 277.45 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-amino-5-methyl-1-(2,3,4,5,6-pentamethylphenyl)hexan-2-ol is sourced from PubChem (CID 171265016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).