2-(cyclohexylamino)-2-(4-methoxyphenyl)butan-1-ol

C17H27NO2 — CID 61046739

IUPAC2-(cyclohexylamino)-2-(4-methoxyphenyl)butan-1-ol
SMILESCCC(CO)(NC1CCCCC1)c1ccc(OC)cc1
InChIInChI=1S/C17H27NO2/c1-3-17(13-19,18-15-7-5-4-6-8-15)14-9-11-16(20-2)12-10-14/h9-12,15,18-19H,3-8,13H2,1-2H3
InChIKeyGMQFJNGNMDFIEC-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.22
Rot. Bonds6

About 2-(cyclohexylamino)-2-(4-methoxyphenyl)butan-1-ol

2-(cyclohexylamino)-2-(4-methoxyphenyl)butan-1-ol (PubChem CID 61046739) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(cyclohexylamino)-2-(4-methoxyphenyl)butan-1-ol.

Molecular Properties

Compound Name2-(cyclohexylamino)-2-(4-methoxyphenyl)butan-1-ol
PubChem CID61046739
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-(cyclohexylamino)-2-(4-methoxyphenyl)butan-1-ol
SMILESCCC(CO)(NC1CCCCC1)c1ccc(OC)cc1
InChIInChI=1S/C17H27NO2/c1-3-17(13-19,18-15-7-5-4-6-8-15)14-9-11-16(20-2)12-10-14/h9-12,15,18-19H,3-8,13H2,1-2H3
InChIKeyGMQFJNGNMDFIEC-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylamino)-2-(4-methoxyphenyl)butanamide
CID 60998135
2-(cycloheptylamino)-2-(3-fluorophenyl)butan-1-ol
CID 114872869
methyl 2-(cyclohexylamino)-2-(4-methoxyphenyl)propanoate
CID 60998069
1-(cyclopentylamino)-2-(4-methoxyphenyl)propan-2-ol
CID 115002997
2-(4-methoxyanilino)-2-phenylbutan-1-ol
CID 61045130
2-[2-(diethylamino)ethylamino]-2-(4-methoxyphenyl)butan-1-ol
CID 61048016
N-(4-methoxyphenyl)cyclooctanamine
CID 29275692
2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)propan-1-ol
CID 61046929
N-[(4-methoxyphenyl)methyl]cycloheptanamine
CID 784052
2-(cyclopentylamino)-2-ethylpropane-1,3-diol
CID 115924300
2-(hydroxymethyl)-2-(4-methoxyphenyl)propane-1,3-diol
CID 175668445
1-[cyclohexyl-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene
CID 71260606

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-2-(4-methoxyphenyl)butan-1-ol?
The IUPAC name of 2-(cyclohexylamino)-2-(4-methoxyphenyl)butan-1-ol (CID 61046739) is 2-(cyclohexylamino)-2-(4-methoxyphenyl)butan-1-ol.
What is the SMILES notation for 2-(cyclohexylamino)-2-(4-methoxyphenyl)butan-1-ol?
The canonical SMILES for 2-(cyclohexylamino)-2-(4-methoxyphenyl)butan-1-ol is CCC(CO)(NC1CCCCC1)c1ccc(OC)cc1.
What is the InChIKey of 2-(cyclohexylamino)-2-(4-methoxyphenyl)butan-1-ol?
The InChIKey is GMQFJNGNMDFIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-17(13-19,18-15-7-5-4-6-8-15)14-9-11-16(20-2)12-10-14/h9-12,15,18-19H,3-8,13H2,1-2H3.
What are the key properties of 2-(cyclohexylamino)-2-(4-methoxyphenyl)butan-1-ol?
2-(cyclohexylamino)-2-(4-methoxyphenyl)butan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-2-(4-methoxyphenyl)butan-1-ol is sourced from PubChem (CID 61046739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).