(4-hydroxyphenyl)methyl-(thiophen-2-ylmethyl)azanium

C12H14NOS+ — CID 6920303

IUPAC(4-hydroxyphenyl)methyl-(thiophen-2-ylmethyl)azanium
SMILESOc1ccc(C[NH2+]Cc2cccs2)cc1
InChIInChI=1S/C12H13NOS/c14-11-5-3-10(4-6-11)8-13-9-12-2-1-7-15-12/h1-7,13-14H,8-9H2/p+1
InChIKeyDIFCPBCZKFGYPB-UHFFFAOYSA-O
MW220.32 g/mol
LogP1.72
Rot. Bonds4

About (4-hydroxyphenyl)methyl-(thiophen-2-ylmethyl)azanium

(4-hydroxyphenyl)methyl-(thiophen-2-ylmethyl)azanium (PubChem CID 6920303) has the molecular formula C12H14NOS+ and a molecular weight of 220.32 g/mol. Its IUPAC name is (4-hydroxyphenyl)methyl-(thiophen-2-ylmethyl)azanium.

Molecular Properties

Compound Name(4-hydroxyphenyl)methyl-(thiophen-2-ylmethyl)azanium
PubChem CID6920303
Molecular FormulaC12H14NOS+
Molecular Weight220.32 g/mol
Exact Mass220.08
IUPAC Name(4-hydroxyphenyl)methyl-(thiophen-2-ylmethyl)azanium
SMILESOc1ccc(C[NH2+]Cc2cccs2)cc1
InChIInChI=1S/C12H13NOS/c14-11-5-3-10(4-6-11)8-13-9-12-2-1-7-15-12/h1-7,13-14H,8-9H2/p+1
InChIKeyDIFCPBCZKFGYPB-UHFFFAOYSA-O
XLogP1.72
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(4-Methoxyphenyl)methyl][1-(thiophen-2-yl)propan-2-yl]amine
CID 4868415
NoName_3188
CID 208014
Thieno(3,2-c)pyridine, 4,5,6,7-tetrahydro-5-((4-hydroxyphenyl)methyl)-, monohydrochloride
CID 3041302
Phenol, p-(2-methyl-2-thiazolidinyl)-
CID 204661
4-[(Thiophen-2-ylmethylamino)methyl]phenol
CID 677150
2-(4-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 4718431
4-[[[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]amino]methyl]phenol
CID 42924851
4-Hydroxy-3-[1-(2-thiophen-2-ylethylamino)ethyl]benzonitrile
CID 44326349
3-{4H,5H,6H,7H-thieno[3,2-c]pyridin-4-yl}phenol
CID 165477685
N-[(4-hydroxyphenyl)methyl]-4-(5-iodothiophen-2-yl)butanamide
CID 172442625
4-[[methyl-[(1R)-1-(3-thiophen-2-ylphenyl)ethyl]amino]methyl]phenol
CID 177380682
4-(4-Hydroxyphenyl)thiophene-2-carbothioamide
CID 132137110

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl)methyl-(thiophen-2-ylmethyl)azanium?
The IUPAC name of (4-hydroxyphenyl)methyl-(thiophen-2-ylmethyl)azanium (CID 6920303) is (4-hydroxyphenyl)methyl-(thiophen-2-ylmethyl)azanium.
What is the SMILES notation for (4-hydroxyphenyl)methyl-(thiophen-2-ylmethyl)azanium?
The canonical SMILES for (4-hydroxyphenyl)methyl-(thiophen-2-ylmethyl)azanium is Oc1ccc(C[NH2+]Cc2cccs2)cc1.
What is the InChIKey of (4-hydroxyphenyl)methyl-(thiophen-2-ylmethyl)azanium?
The InChIKey is DIFCPBCZKFGYPB-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H13NOS/c14-11-5-3-10(4-6-11)8-13-9-12-2-1-7-15-12/h1-7,13-14H,8-9H2/p+1.
What are the key properties of (4-hydroxyphenyl)methyl-(thiophen-2-ylmethyl)azanium?
(4-hydroxyphenyl)methyl-(thiophen-2-ylmethyl)azanium has a molecular weight of 220.32 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)methyl-(thiophen-2-ylmethyl)azanium is sourced from PubChem (CID 6920303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).