1-(2-cycloheptylphenoxy)-3-[methyl(2-methylbutyl)amino]propan-2-ol

C22H37NO2 — CID 22113429

IUPAC1-(2-cycloheptylphenoxy)-3-[methyl(2-methylbutyl)amino]propan-2-ol
SMILESCCC(C)CN(C)CC(O)COc1ccccc1C1CCCCCC1
InChIInChI=1S/C22H37NO2/c1-4-18(2)15-23(3)16-20(24)17-25-22-14-10-9-13-21(22)19-11-7-5-6-8-12-19/h9-10,13-14,18-20,24H,4-8,11-12,15-17H2,1-3H3
InChIKeyKERNCODRIJDCMD-UHFFFAOYSA-N
MW347.54 g/mol
LogP4.84
Rot. Bonds9

About 1-(2-cycloheptylphenoxy)-3-[methyl(2-methylbutyl)amino]propan-2-ol

1-(2-cycloheptylphenoxy)-3-[methyl(2-methylbutyl)amino]propan-2-ol (PubChem CID 22113429) has the molecular formula C22H37NO2 and a molecular weight of 347.54 g/mol. Its IUPAC name is 1-(2-cycloheptylphenoxy)-3-[methyl(2-methylbutyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(2-cycloheptylphenoxy)-3-[methyl(2-methylbutyl)amino]propan-2-ol
PubChem CID22113429
Molecular FormulaC22H37NO2
Molecular Weight347.54 g/mol
Exact Mass347.28
IUPAC Name1-(2-cycloheptylphenoxy)-3-[methyl(2-methylbutyl)amino]propan-2-ol
SMILESCCC(C)CN(C)CC(O)COc1ccccc1C1CCCCCC1
InChIInChI=1S/C22H37NO2/c1-4-18(2)15-23(3)16-20(24)17-25-22-14-10-9-13-21(22)19-11-7-5-6-8-12-19/h9-10,13-14,18-20,24H,4-8,11-12,15-17H2,1-3H3
InChIKeyKERNCODRIJDCMD-UHFFFAOYSA-N
XLogP4.84
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.54
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cycloheptylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol
CID 70048759
1-chloro-3-(2-cyclohexylphenoxy)propan-2-ol
CID 131857261
1-[cyclohexyl(methyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol chloride
CID 46863798
1-(2-cyclopentylphenoxy)-3-(2-methylpentan-2-ylamino)propan-2-ol;oxalic acid
CID 157078518
1-[cyclohexyl(methyl)amino]-3-(2-fluorophenoxy)propan-2-ol chloride
CID 53350472
2-[[[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-methylamino]methyl]cyclopentan-1-ol
CID 109394116
1-(2-bromophenoxy)-3-(dicyclohexylamino)propan-2-ol
CID 2916524
2-[3-[cyclobutylmethyl(methyl)amino]-2-hydroxypropoxy]benzonitrile
CID 62861669
1-(dicyclohexylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 22330841
2-(2-cyclohexylphenoxy)ethanamine
CID 115031579
(2S)-1-(dicyclohexylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol
CID 35583289
(2R)-1-[2-hydroxyethyl(methyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 95232149

Frequently Asked Questions

What is the IUPAC name of 1-(2-cycloheptylphenoxy)-3-[methyl(2-methylbutyl)amino]propan-2-ol?
The IUPAC name of 1-(2-cycloheptylphenoxy)-3-[methyl(2-methylbutyl)amino]propan-2-ol (CID 22113429) is 1-(2-cycloheptylphenoxy)-3-[methyl(2-methylbutyl)amino]propan-2-ol.
What is the SMILES notation for 1-(2-cycloheptylphenoxy)-3-[methyl(2-methylbutyl)amino]propan-2-ol?
The canonical SMILES for 1-(2-cycloheptylphenoxy)-3-[methyl(2-methylbutyl)amino]propan-2-ol is CCC(C)CN(C)CC(O)COc1ccccc1C1CCCCCC1.
What is the InChIKey of 1-(2-cycloheptylphenoxy)-3-[methyl(2-methylbutyl)amino]propan-2-ol?
The InChIKey is KERNCODRIJDCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37NO2/c1-4-18(2)15-23(3)16-20(24)17-25-22-14-10-9-13-21(22)19-11-7-5-6-8-12-19/h9-10,13-14,18-20,24H,4-8,11-12,15-17H2,1-3H3.
What are the key properties of 1-(2-cycloheptylphenoxy)-3-[methyl(2-methylbutyl)amino]propan-2-ol?
1-(2-cycloheptylphenoxy)-3-[methyl(2-methylbutyl)amino]propan-2-ol has a molecular weight of 347.54 g/mol, XLogP of 4.84, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cycloheptylphenoxy)-3-[methyl(2-methylbutyl)amino]propan-2-ol is sourced from PubChem (CID 22113429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).