1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-cyclohexyloxypropan-2-ol

C15H24ClNO2S — CID 61469543

IUPAC1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-cyclohexyloxypropan-2-ol
SMILESCC(NCC(O)COC1CCCCC1)c1ccc(Cl)s1
InChIInChI=1S/C15H24ClNO2S/c1-11(14-7-8-15(16)20-14)17-9-12(18)10-19-13-5-3-2-4-6-13/h7-8,11-13,17-18H,2-6,9-10H2,1H3
InChIKeyUAMDXPSUULAJLH-UHFFFAOYSA-N
MW317.88 g/mol
LogP3.76
Rot. Bonds7

About 1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-cyclohexyloxypropan-2-ol

1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-cyclohexyloxypropan-2-ol (PubChem CID 61469543) has the molecular formula C15H24ClNO2S and a molecular weight of 317.88 g/mol. Its IUPAC name is 1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-cyclohexyloxypropan-2-ol.

Molecular Properties

Compound Name1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-cyclohexyloxypropan-2-ol
PubChem CID61469543
Molecular FormulaC15H24ClNO2S
Molecular Weight317.88 g/mol
Exact Mass317.12
IUPAC Name1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-cyclohexyloxypropan-2-ol
SMILESCC(NCC(O)COC1CCCCC1)c1ccc(Cl)s1
InChIInChI=1S/C15H24ClNO2S/c1-11(14-7-8-15(16)20-14)17-9-12(18)10-19-13-5-3-2-4-6-13/h7-8,11-13,17-18H,2-6,9-10H2,1H3
InChIKeyUAMDXPSUULAJLH-UHFFFAOYSA-N
XLogP3.76
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.88
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 54954410
1-cyclopentyloxy-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 55251514
1-cyclohexyloxy-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol
CID 81409866
1-cyclopentyloxy-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 62840331
1-[[(1S)-1-cycloheptylethyl]amino]-3-cyclopentyloxypropan-2-ol
CID 81391866
1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-(2-methylphenoxy)propan-2-ol
CID 61469219
1-cyclohexyloxy-3-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 81404417
N-[1-(5-chlorothiophen-2-yl)ethyl]cycloheptanamine
CID 43427139
3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]butan-1-ol
CID 83178126
1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-ethylpentan-2-ol
CID 103783012
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine
CID 54906711
1-cyclopentyloxy-3-(1-thiophen-2-ylpropan-2-ylamino)propan-2-ol
CID 63291900

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-cyclohexyloxypropan-2-ol?
The IUPAC name of 1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-cyclohexyloxypropan-2-ol (CID 61469543) is 1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-cyclohexyloxypropan-2-ol.
What is the SMILES notation for 1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-cyclohexyloxypropan-2-ol?
The canonical SMILES for 1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-cyclohexyloxypropan-2-ol is CC(NCC(O)COC1CCCCC1)c1ccc(Cl)s1.
What is the InChIKey of 1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-cyclohexyloxypropan-2-ol?
The InChIKey is UAMDXPSUULAJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO2S/c1-11(14-7-8-15(16)20-14)17-9-12(18)10-19-13-5-3-2-4-6-13/h7-8,11-13,17-18H,2-6,9-10H2,1H3.
What are the key properties of 1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-cyclohexyloxypropan-2-ol?
1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-cyclohexyloxypropan-2-ol has a molecular weight of 317.88 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-cyclohexyloxypropan-2-ol is sourced from PubChem (CID 61469543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).