2-(cyclohexylamino)-1-(2-methoxy-3,5-dimethylphenyl)ethanol

C17H27NO2 — CID 82315590

IUPAC2-(cyclohexylamino)-1-(2-methoxy-3,5-dimethylphenyl)ethanol
SMILESCOc1c(C)cc(C)cc1C(O)CNC1CCCCC1
InChIInChI=1S/C17H27NO2/c1-12-9-13(2)17(20-3)15(10-12)16(19)11-18-14-7-5-4-6-8-14/h9-10,14,16,18-19H,4-8,11H2,1-3H3
InChIKeyIJMIKAWGZZNWJI-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.27
Rot. Bonds5

About 2-(cyclohexylamino)-1-(2-methoxy-3,5-dimethylphenyl)ethanol

2-(cyclohexylamino)-1-(2-methoxy-3,5-dimethylphenyl)ethanol (PubChem CID 82315590) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(cyclohexylamino)-1-(2-methoxy-3,5-dimethylphenyl)ethanol.

Molecular Properties

Compound Name2-(cyclohexylamino)-1-(2-methoxy-3,5-dimethylphenyl)ethanol
PubChem CID82315590
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-(cyclohexylamino)-1-(2-methoxy-3,5-dimethylphenyl)ethanol
SMILESCOc1c(C)cc(C)cc1C(O)CNC1CCCCC1
InChIInChI=1S/C17H27NO2/c1-12-9-13(2)17(20-3)15(10-12)16(19)11-18-14-7-5-4-6-8-14/h9-10,14,16,18-19H,4-8,11H2,1-3H3
InChIKeyIJMIKAWGZZNWJI-UHFFFAOYSA-N
XLogP3.27
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 45096959
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2-(cyclopentylamino)-1-(3,5-dimethoxyphenyl)ethanol
CID 110922411
N-[2-(2,4,6-trimethylphenoxy)ethyl]cyclohexanamine
CID 63517327
2-(cyclopentylamino)-1-(2,3,5,6-tetramethylphenyl)ethanol
CID 82121821
(1S)-2-(cycloheptylamino)-1-(4-methylphenyl)ethanol
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(2-methoxy-3,5-dimethylphenyl)-piperidin-2-ylmethanol
CID 82341661
2-(cyclobutylamino)-1-(4-methoxyphenyl)ethanol
CID 62414370
2-[(1,1-dioxothian-4-yl)amino]-1-(2-methoxy-5-methylphenyl)ethanol
CID 60910310
(1S,3S)-3-amino-1-(2-methoxy-3,5-dimethylphenyl)butane-1,4-diol
CID 165351519
2-(cyclohexylamino)-1-(3,6-dichlorophenanthren-9-yl)ethanol
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CID 110181265

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-1-(2-methoxy-3,5-dimethylphenyl)ethanol?
The IUPAC name of 2-(cyclohexylamino)-1-(2-methoxy-3,5-dimethylphenyl)ethanol (CID 82315590) is 2-(cyclohexylamino)-1-(2-methoxy-3,5-dimethylphenyl)ethanol.
What is the SMILES notation for 2-(cyclohexylamino)-1-(2-methoxy-3,5-dimethylphenyl)ethanol?
The canonical SMILES for 2-(cyclohexylamino)-1-(2-methoxy-3,5-dimethylphenyl)ethanol is COc1c(C)cc(C)cc1C(O)CNC1CCCCC1.
What is the InChIKey of 2-(cyclohexylamino)-1-(2-methoxy-3,5-dimethylphenyl)ethanol?
The InChIKey is IJMIKAWGZZNWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12-9-13(2)17(20-3)15(10-12)16(19)11-18-14-7-5-4-6-8-14/h9-10,14,16,18-19H,4-8,11H2,1-3H3.
What are the key properties of 2-(cyclohexylamino)-1-(2-methoxy-3,5-dimethylphenyl)ethanol?
2-(cyclohexylamino)-1-(2-methoxy-3,5-dimethylphenyl)ethanol has a molecular weight of 277.41 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-1-(2-methoxy-3,5-dimethylphenyl)ethanol is sourced from PubChem (CID 82315590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).