1-[(4-methylphenyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol

C16H21NO2S — CID 60632328

IUPAC1-[(4-methylphenyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESCc1ccc(CNCC(O)COCc2cccs2)cc1
InChIInChI=1S/C16H21NO2S/c1-13-4-6-14(7-5-13)9-17-10-15(18)11-19-12-16-3-2-8-20-16/h2-8,15,17-18H,9-12H2,1H3
InChIKeyAHNDGPADNZSISN-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.72
Rot. Bonds8

About 1-[(4-methylphenyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol

1-[(4-methylphenyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol (PubChem CID 60632328) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(4-methylphenyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
PubChem CID60632328
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Name1-[(4-methylphenyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESCc1ccc(CNCC(O)COCc2cccs2)cc1
InChIInChI=1S/C16H21NO2S/c1-13-4-6-14(7-5-13)9-17-10-15(18)11-19-12-16-3-2-8-20-16/h2-8,15,17-18H,9-12H2,1H3
InChIKeyAHNDGPADNZSISN-UHFFFAOYSA-N
XLogP2.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methylphenyl)methylamino]-3-phenylmethoxypropan-2-ol
CID 60632327
1-[(4,5-dimethylthiophen-2-yl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 65243670
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 54903426
1-(2,2-dimethylpropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 61167409
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 78974816
1-[(4-methyl-3-pyridinyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 114955607
ethyl 2-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]acetate
CID 54937741
3-ethyl-1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]pentan-2-ol
CID 106285514
1-(3-methylsulfanylpropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 63966458
(2R)-1-(3-propan-2-yloxypropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2119639
1-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 79358228
1-(2-butoxyethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 61171076

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-[(4-methylphenyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol (CID 60632328) is 1-[(4-methylphenyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-[(4-methylphenyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-[(4-methylphenyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol is Cc1ccc(CNCC(O)COCc2cccs2)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The InChIKey is AHNDGPADNZSISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-13-4-6-14(7-5-13)9-17-10-15(18)11-19-12-16-3-2-8-20-16/h2-8,15,17-18H,9-12H2,1H3.
What are the key properties of 1-[(4-methylphenyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol?
1-[(4-methylphenyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol has a molecular weight of 291.42 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 60632328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).