(2S)-1-(dicyclohexylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol

C25H41NO2 — CID 35583289

IUPAC(2S)-1-(dicyclohexylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol
SMILESCc1ccc(C(C)C)c(OC[C@@H](O)CN(C2CCCCC2)C2CCCCC2)c1
InChIInChI=1S/C25H41NO2/c1-19(2)24-15-14-20(3)16-25(24)28-18-23(27)17-26(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h14-16,19,21-23,27H,4-13,17-18H2,1-3H3/t23-/m0/s1
InChIKeyGPKYEWGPXRLRMB-QHCPKHFHSA-N
MW387.61 g/mol
LogP5.83
Rot. Bonds8

About (2S)-1-(dicyclohexylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol

(2S)-1-(dicyclohexylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol (PubChem CID 35583289) has the molecular formula C25H41NO2 and a molecular weight of 387.61 g/mol. Its IUPAC name is (2S)-1-(dicyclohexylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(dicyclohexylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol
PubChem CID35583289
Molecular FormulaC25H41NO2
Molecular Weight387.61 g/mol
Exact Mass387.31
IUPAC Name(2S)-1-(dicyclohexylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol
SMILESCc1ccc(C(C)C)c(OC[C@@H](O)CN(C2CCCCC2)C2CCCCC2)c1
InChIInChI=1S/C25H41NO2/c1-19(2)24-15-14-20(3)16-25(24)28-18-23(27)17-26(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h14-16,19,21-23,27H,4-13,17-18H2,1-3H3/t23-/m0/s1
InChIKeyGPKYEWGPXRLRMB-QHCPKHFHSA-N
XLogP5.83
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.61
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-1-(dicyclohexylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol with MolForge

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Related Compounds

(2S)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol
CID 7079783
1-[cyclohexyl(methyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol chloride
CID 46863798
1-(cyclopentylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;oxalic acid
CID 18593407
1-cyclohexyl-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine
CID 104748451
1-(2-bromophenoxy)-3-(dicyclohexylamino)propan-2-ol
CID 2916524
N-cyclohexyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 94840112
(2R)-1-(methylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol
CID 41300592
1-(4-methylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol chloride
CID 21237426
1-(dicyclohexylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 22330841
1-[cyclohexyl(ethyl)amino]-3-(2,4-dimethylphenoxy)propan-2-ol chloride
CID 21237610
1-(dicyclohexylamino)-3-(4-methoxyphenoxy)propan-2-ol chloride
CID 53314392
1-(4-benzylpiperazine-1,4-diium-1-yl)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol
CID 4751891

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(dicyclohexylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol?
The IUPAC name of (2S)-1-(dicyclohexylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol (CID 35583289) is (2S)-1-(dicyclohexylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol.
What is the SMILES notation for (2S)-1-(dicyclohexylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol?
The canonical SMILES for (2S)-1-(dicyclohexylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol is Cc1ccc(C(C)C)c(OC[C@@H](O)CN(C2CCCCC2)C2CCCCC2)c1.
What is the InChIKey of (2S)-1-(dicyclohexylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol?
The InChIKey is GPKYEWGPXRLRMB-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H41NO2/c1-19(2)24-15-14-20(3)16-25(24)28-18-23(27)17-26(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h14-16,19,21-23,27H,4-13,17-18H2,1-3H3/t23-/m0/s1.
What are the key properties of (2S)-1-(dicyclohexylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol?
(2S)-1-(dicyclohexylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol has a molecular weight of 387.61 g/mol, XLogP of 5.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(dicyclohexylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol is sourced from PubChem (CID 35583289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).