1-[cyclohexyl(methyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol

C15H25NO2S — CID 2999457

IUPAC1-[cyclohexyl(methyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESCN(CC(O)COCc1cccs1)C1CCCCC1
InChIInChI=1S/C15H25NO2S/c1-16(13-6-3-2-4-7-13)10-14(17)11-18-12-15-8-5-9-19-15/h5,8-9,13-14,17H,2-4,6-7,10-12H2,1H3
InChIKeyOEOHZDIFLMOPMO-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.89
Rot. Bonds7

About 1-[cyclohexyl(methyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol

1-[cyclohexyl(methyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol (PubChem CID 2999457) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 1-[cyclohexyl(methyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[cyclohexyl(methyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol
PubChem CID2999457
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name1-[cyclohexyl(methyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESCN(CC(O)COCc1cccs1)C1CCCCC1
InChIInChI=1S/C15H25NO2S/c1-16(13-6-3-2-4-7-13)10-14(17)11-18-12-15-8-5-9-19-15/h5,8-9,13-14,17H,2-4,6-7,10-12H2,1H3
InChIKeyOEOHZDIFLMOPMO-UHFFFAOYSA-N
XLogP2.89
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Methyl-1,4-diazepan-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2998646
1-(Azepan-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol;hydrochloride
CID 6602875
4-Propyl-2-thiophen-2-ylmorpholine
CID 15006486
2-Thiophenemethanol, alpha-((2-(dimethylamino)ethoxy)methyl)-, hydrochloride
CID 3076674
1-(Azepan-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2998308
1-[Methyl-(1-methylpiperidin-4-yl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 3551676
1-(3-Methylpiperidin-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 3558901
1-Morpholin-4-yl-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 4115294
1-[4-(2-Hydroxypropyl)-3-methylpiperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 56802799
1-(2-thienyl)-2-[2-(N,N-dimethylamino)ethoxy]ethanol
CID 3076675
2-[2-(Diethylamino)ethoxy]-2-thiophen-2-ylethanol
CID 68725588
1-[Methyl(3,3,3-trifluoropropyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 86842881

Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyl(methyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-[cyclohexyl(methyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol (CID 2999457) is 1-[cyclohexyl(methyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-[cyclohexyl(methyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-[cyclohexyl(methyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol is CN(CC(O)COCc1cccs1)C1CCCCC1.
What is the InChIKey of 1-[cyclohexyl(methyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The InChIKey is OEOHZDIFLMOPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-16(13-6-3-2-4-7-13)10-14(17)11-18-12-15-8-5-9-19-15/h5,8-9,13-14,17H,2-4,6-7,10-12H2,1H3.
What are the key properties of 1-[cyclohexyl(methyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol?
1-[cyclohexyl(methyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol has a molecular weight of 283.44 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexyl(methyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 2999457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).