1-cyclopentyl-3-[1-(4-methylphenoxy)propan-2-ylamino]propan-2-ol

C18H29NO2 — CID 103157412

IUPAC1-cyclopentyl-3-[1-(4-methylphenoxy)propan-2-ylamino]propan-2-ol
SMILESCc1ccc(OCC(C)NCC(O)CC2CCCC2)cc1
InChIInChI=1S/C18H29NO2/c1-14-7-9-18(10-8-14)21-13-15(2)19-12-17(20)11-16-5-3-4-6-16/h7-10,15-17,19-20H,3-6,11-13H2,1-2H3
InChIKeyPTOAHTMAYIPVFT-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.29
Rot. Bonds8

About 1-cyclopentyl-3-[1-(4-methylphenoxy)propan-2-ylamino]propan-2-ol

1-cyclopentyl-3-[1-(4-methylphenoxy)propan-2-ylamino]propan-2-ol (PubChem CID 103157412) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-cyclopentyl-3-[1-(4-methylphenoxy)propan-2-ylamino]propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-[1-(4-methylphenoxy)propan-2-ylamino]propan-2-ol
PubChem CID103157412
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-cyclopentyl-3-[1-(4-methylphenoxy)propan-2-ylamino]propan-2-ol
SMILESCc1ccc(OCC(C)NCC(O)CC2CCCC2)cc1
InChIInChI=1S/C18H29NO2/c1-14-7-9-18(10-8-14)21-13-15(2)19-12-17(20)11-16-5-3-4-6-16/h7-10,15-17,19-20H,3-6,11-13H2,1-2H3
InChIKeyPTOAHTMAYIPVFT-UHFFFAOYSA-N
XLogP3.29
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cyclopropylethylamino)-3-(4-methylphenoxy)propan-2-ol
CID 54938847
N-[1-(4-methylphenoxy)propan-2-yl]cyclopentanamine
CID 61168103
1-(4-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 16812220
1-cyclopentyl-3-[4-(1-hydroxyethyl)phenoxy]propan-2-ol
CID 103158944
1-cyclopentyl-3-[1-(5-methylthiophen-2-yl)propan-2-ylamino]propan-2-ol
CID 103157859
1-cyclopentyl-3-[4-[1-(ethylamino)ethyl]phenoxy]propan-2-ol
CID 103156424
1-(4-methylphenoxy)-3-piperidin-4-ylpropan-2-ol
CID 135249199
methyl 4-(3-cyclopentyl-2-hydroxypropoxy)benzoate
CID 103156169
1-cyclopentyl-3-[1-(5-methylfuran-2-yl)ethylamino]propan-2-ol
CID 103157408
2-[1-(4-methylphenoxy)propan-2-ylamino]cycloheptan-1-ol
CID 61166947
2-[1-(4-methylphenoxy)propan-2-ylamino]ethanol
CID 61166956
1-cyclopentyl-3-(4-ethylphenoxy)propan-2-ol
CID 103160577

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[1-(4-methylphenoxy)propan-2-ylamino]propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-[1-(4-methylphenoxy)propan-2-ylamino]propan-2-ol (CID 103157412) is 1-cyclopentyl-3-[1-(4-methylphenoxy)propan-2-ylamino]propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-[1-(4-methylphenoxy)propan-2-ylamino]propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-[1-(4-methylphenoxy)propan-2-ylamino]propan-2-ol is Cc1ccc(OCC(C)NCC(O)CC2CCCC2)cc1.
What is the InChIKey of 1-cyclopentyl-3-[1-(4-methylphenoxy)propan-2-ylamino]propan-2-ol?
The InChIKey is PTOAHTMAYIPVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-14-7-9-18(10-8-14)21-13-15(2)19-12-17(20)11-16-5-3-4-6-16/h7-10,15-17,19-20H,3-6,11-13H2,1-2H3.
What are the key properties of 1-cyclopentyl-3-[1-(4-methylphenoxy)propan-2-ylamino]propan-2-ol?
1-cyclopentyl-3-[1-(4-methylphenoxy)propan-2-ylamino]propan-2-ol has a molecular weight of 291.44 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[1-(4-methylphenoxy)propan-2-ylamino]propan-2-ol is sourced from PubChem (CID 103157412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).