4-[1-(4-methylphenoxy)propan-2-ylamino]cyclohexan-1-ol

C16H25NO2 — CID 106594454

IUPAC4-[1-(4-methylphenoxy)propan-2-ylamino]cyclohexan-1-ol
SMILESCc1ccc(OCC(C)NC2CCC(O)CC2)cc1
InChIInChI=1S/C16H25NO2/c1-12-3-9-16(10-4-12)19-11-13(2)17-14-5-7-15(18)8-6-14/h3-4,9-10,13-15,17-18H,5-8,11H2,1-2H3
InChIKeyUGFIFYCQJKUJCK-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.66
Rot. Bonds5

About 4-[1-(4-methylphenoxy)propan-2-ylamino]cyclohexan-1-ol

4-[1-(4-methylphenoxy)propan-2-ylamino]cyclohexan-1-ol (PubChem CID 106594454) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[1-(4-methylphenoxy)propan-2-ylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[1-(4-methylphenoxy)propan-2-ylamino]cyclohexan-1-ol
PubChem CID106594454
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-[1-(4-methylphenoxy)propan-2-ylamino]cyclohexan-1-ol
SMILESCc1ccc(OCC(C)NC2CCC(O)CC2)cc1
InChIInChI=1S/C16H25NO2/c1-12-3-9-16(10-4-12)19-11-13(2)17-14-5-7-15(18)8-6-14/h3-4,9-10,13-15,17-18H,5-8,11H2,1-2H3
InChIKeyUGFIFYCQJKUJCK-UHFFFAOYSA-N
XLogP2.66
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methylphenoxy)propan-2-yl]cyclopentanamine
CID 61168103
1-methyl-N-[1-(4-methylphenoxy)propan-2-yl]piperidin-4-amine
CID 61168104
2-[1-(4-methylphenoxy)propan-2-ylamino]cycloheptan-1-ol
CID 61166947
4-[1-(4-methylphenoxy)propan-2-ylamino]oxolan-3-ol
CID 61166948
1,2-dimethyl-N-[1-(4-methylphenoxy)propan-2-yl]piperidin-4-amine
CID 81333951
4-(1-methoxypropan-2-ylamino)cyclohexan-1-ol
CID 62535244
N-[4-[[(2S)-1-(3-methylphenoxy)propan-2-yl]amino]cyclohexyl]acetamide
CID 99632956
2-[1-(4-methylphenoxy)propan-2-ylamino]ethanol
CID 61166956
1-cyclopentyl-3-[1-(4-methylphenoxy)propan-2-ylamino]propan-2-ol
CID 103157412
N-(1,3-dioxan-4-ylmethyl)-1-(4-methylphenoxy)propan-2-amine
CID 81101195
N-[2-[[(2R)-1-(4-methylphenoxy)propan-2-yl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 95157805
1-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-1,4-dicarboxamide
CID 51096030

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methylphenoxy)propan-2-ylamino]cyclohexan-1-ol?
The IUPAC name of 4-[1-(4-methylphenoxy)propan-2-ylamino]cyclohexan-1-ol (CID 106594454) is 4-[1-(4-methylphenoxy)propan-2-ylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-[1-(4-methylphenoxy)propan-2-ylamino]cyclohexan-1-ol?
The canonical SMILES for 4-[1-(4-methylphenoxy)propan-2-ylamino]cyclohexan-1-ol is Cc1ccc(OCC(C)NC2CCC(O)CC2)cc1.
What is the InChIKey of 4-[1-(4-methylphenoxy)propan-2-ylamino]cyclohexan-1-ol?
The InChIKey is UGFIFYCQJKUJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-3-9-16(10-4-12)19-11-13(2)17-14-5-7-15(18)8-6-14/h3-4,9-10,13-15,17-18H,5-8,11H2,1-2H3.
What are the key properties of 4-[1-(4-methylphenoxy)propan-2-ylamino]cyclohexan-1-ol?
4-[1-(4-methylphenoxy)propan-2-ylamino]cyclohexan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methylphenoxy)propan-2-ylamino]cyclohexan-1-ol is sourced from PubChem (CID 106594454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).