2-(cyclohexylamino)-1-(3-methoxyphenyl)butan-1-ol

C17H27NO2 — CID 82314292

IUPAC2-(cyclohexylamino)-1-(3-methoxyphenyl)butan-1-ol
SMILESCCC(NC1CCCCC1)C(O)c1cccc(OC)c1
InChIInChI=1S/C17H27NO2/c1-3-16(18-14-9-5-4-6-10-14)17(19)13-8-7-11-15(12-13)20-2/h7-8,11-12,14,16-19H,3-6,9-10H2,1-2H3
InChIKeyURAWRZRVMRAJEM-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.43
Rot. Bonds6

About 2-(cyclohexylamino)-1-(3-methoxyphenyl)butan-1-ol

2-(cyclohexylamino)-1-(3-methoxyphenyl)butan-1-ol (PubChem CID 82314292) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(cyclohexylamino)-1-(3-methoxyphenyl)butan-1-ol.

Molecular Properties

Compound Name2-(cyclohexylamino)-1-(3-methoxyphenyl)butan-1-ol
PubChem CID82314292
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-(cyclohexylamino)-1-(3-methoxyphenyl)butan-1-ol
SMILESCCC(NC1CCCCC1)C(O)c1cccc(OC)c1
InChIInChI=1S/C17H27NO2/c1-3-16(18-14-9-5-4-6-10-14)17(19)13-8-7-11-15(12-13)20-2/h7-8,11-12,14,16-19H,3-6,9-10H2,1-2H3
InChIKeyURAWRZRVMRAJEM-UHFFFAOYSA-N
XLogP3.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclohexylamino)-1-phenylbutan-1-ol
CID 82312145
2-(cyclopentylamino)-1-(3-methoxyphenyl)-3-methylbutan-1-ol
CID 82314327
1-(3-methoxyphenyl)-2-(propan-2-ylamino)butan-1-ol
CID 82314283
ethyl 2-(cyclohexylamino)-2-(3-methoxyphenyl)acetate
CID 60998192
2-(cyclohexylamino)-2-(3-methoxyphenyl)acetic acid
CID 54892787
(1R)-1-(3-methoxyphenyl)-2-methylbutan-1-ol
CID 102519814
2-(cyclopropylamino)-2-(3-methoxyphenyl)ethanol
CID 61054205
1-cyclohexyl-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 63478190
2-(cyclopentylamino)-1-(2-methoxy-5-methylphenyl)butan-1-ol
CID 82313718
2-(cyclohexylamino)-2-(3-ethoxyphenyl)ethanol
CID 61047485
methane;1-methoxy-3-propan-2-ylbenzene;N-propan-2-ylcyclobutanamine;yttrium
CID 158360272
N-[cyclopentyl-(3-methoxyphenyl)methyl]ethanamine
CID 60797775

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-1-(3-methoxyphenyl)butan-1-ol?
The IUPAC name of 2-(cyclohexylamino)-1-(3-methoxyphenyl)butan-1-ol (CID 82314292) is 2-(cyclohexylamino)-1-(3-methoxyphenyl)butan-1-ol.
What is the SMILES notation for 2-(cyclohexylamino)-1-(3-methoxyphenyl)butan-1-ol?
The canonical SMILES for 2-(cyclohexylamino)-1-(3-methoxyphenyl)butan-1-ol is CCC(NC1CCCCC1)C(O)c1cccc(OC)c1.
What is the InChIKey of 2-(cyclohexylamino)-1-(3-methoxyphenyl)butan-1-ol?
The InChIKey is URAWRZRVMRAJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-16(18-14-9-5-4-6-10-14)17(19)13-8-7-11-15(12-13)20-2/h7-8,11-12,14,16-19H,3-6,9-10H2,1-2H3.
What are the key properties of 2-(cyclohexylamino)-1-(3-methoxyphenyl)butan-1-ol?
2-(cyclohexylamino)-1-(3-methoxyphenyl)butan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-1-(3-methoxyphenyl)butan-1-ol is sourced from PubChem (CID 82314292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).