1-(pentan-2-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol

C13H23NO2S — CID 60634664

IUPAC1-(pentan-2-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESCCCC(C)NCC(O)COCc1cccs1
InChIInChI=1S/C13H23NO2S/c1-3-5-11(2)14-8-12(15)9-16-10-13-6-4-7-17-13/h4,6-7,11-12,14-15H,3,5,8-10H2,1-2H3
InChIKeyCPSOXQDOUUVISH-UHFFFAOYSA-N
MW257.40 g/mol
LogP2.40
Rot. Bonds9

About 1-(pentan-2-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol

1-(pentan-2-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol (PubChem CID 60634664) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is 1-(pentan-2-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(pentan-2-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
PubChem CID60634664
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC Name1-(pentan-2-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESCCCC(C)NCC(O)COCc1cccs1
InChIInChI=1S/C13H23NO2S/c1-3-5-11(2)14-8-12(15)9-16-10-13-6-4-7-17-13/h4,6-7,11-12,14-15H,3,5,8-10H2,1-2H3
InChIKeyCPSOXQDOUUVISH-UHFFFAOYSA-N
XLogP2.40
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]-3-methylbutan-1-ol
CID 79248985
3-[[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]methyl]hexan-1-ol
CID 106115240
1-(2-butoxyethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 61171076
3-ethyl-1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]pentan-2-ol
CID 106285514
1-(2,2-dimethylpropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 61167409
(2R)-1-(3-propan-2-yloxypropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2119639
ethyl 2-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]acetate
CID 54937741
(2R)-1-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 98285003
1-N-pentan-2-yl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62567811
1-(morpholin-4-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 83021271
1-[(4-methylphenyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60632328
1-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 79358228

Frequently Asked Questions

What is the IUPAC name of 1-(pentan-2-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-(pentan-2-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol (CID 60634664) is 1-(pentan-2-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-(pentan-2-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-(pentan-2-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol is CCCC(C)NCC(O)COCc1cccs1.
What is the InChIKey of 1-(pentan-2-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The InChIKey is CPSOXQDOUUVISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S/c1-3-5-11(2)14-8-12(15)9-16-10-13-6-4-7-17-13/h4,6-7,11-12,14-15H,3,5,8-10H2,1-2H3.
What are the key properties of 1-(pentan-2-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol?
1-(pentan-2-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol has a molecular weight of 257.40 g/mol, XLogP of 2.40, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pentan-2-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 60634664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).