4-[[[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]amino]methyl]phenol

C21H21NOS — CID 42924851

IUPAC4-[[[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]amino]methyl]phenol
SMILESOc1ccc(CNC(c2ccc3c(c2)CCC3)c2cccs2)cc1
InChIInChI=1S/C21H21NOS/c23-19-10-6-15(7-11-19)14-22-21(20-5-2-12-24-20)18-9-8-16-3-1-4-17(16)13-18/h2,5-13,21-23H,1,3-4,14H2
InChIKeyNELSEETYNOWOIK-UHFFFAOYSA-N
MW335.47 g/mol
LogP4.82
Rot. Bonds5

About 4-[[[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]amino]methyl]phenol

4-[[[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]amino]methyl]phenol (PubChem CID 42924851) has the molecular formula C21H21NOS and a molecular weight of 335.47 g/mol. Its IUPAC name is 4-[[[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]amino]methyl]phenol.

Molecular Properties

Compound Name4-[[[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]amino]methyl]phenol
PubChem CID42924851
Molecular FormulaC21H21NOS
Molecular Weight335.47 g/mol
Exact Mass335.13
IUPAC Name4-[[[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]amino]methyl]phenol
SMILESOc1ccc(CNC(c2ccc3c(c2)CCC3)c2cccs2)cc1
InChIInChI=1S/C21H21NOS/c23-19-10-6-15(7-11-19)14-22-21(20-5-2-12-24-20)18-9-8-16-3-1-4-17(16)13-18/h2,5-13,21-23H,1,3-4,14H2
InChIKeyNELSEETYNOWOIK-UHFFFAOYSA-N
XLogP4.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]ethanamine
CID 43416858
N-[(2,4-difluorophenyl)methyl]-1-(2,3-dihydro-1H-inden-5-yl)-1-thiophen-2-ylmethanamine
CID 42924852
1-[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]-3-methylthiourea
CID 92534650
N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]cyclopropanecarboxamide
CID 24553065
3-(2,5-dioxopyrrolidin-1-yl)-N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]propanamide
CID 55453255
(3R)-3-acetamido-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-3-thiophen-2-ylpropanamide
CID 51929437
4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]phenol
CID 43225843
2-[[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 17392078
methyl 3-[[2-[[(R)-2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]amino]acetyl]amino]-4-methylbenzoate
CID 41037163
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(S)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]acetamide
CID 31981402
N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]pyridine-3-carboxamide
CID 31709977
N-[(4-methylphenyl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine
CID 43224410

Frequently Asked Questions

What is the IUPAC name of 4-[[[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]amino]methyl]phenol?
The IUPAC name of 4-[[[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]amino]methyl]phenol (CID 42924851) is 4-[[[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]amino]methyl]phenol.
What is the SMILES notation for 4-[[[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]amino]methyl]phenol?
The canonical SMILES for 4-[[[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]amino]methyl]phenol is Oc1ccc(CNC(c2ccc3c(c2)CCC3)c2cccs2)cc1.
What is the InChIKey of 4-[[[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]amino]methyl]phenol?
The InChIKey is NELSEETYNOWOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NOS/c23-19-10-6-15(7-11-19)14-22-21(20-5-2-12-24-20)18-9-8-16-3-1-4-17(16)13-18/h2,5-13,21-23H,1,3-4,14H2.
What are the key properties of 4-[[[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]amino]methyl]phenol?
4-[[[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]amino]methyl]phenol has a molecular weight of 335.47 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]amino]methyl]phenol is sourced from PubChem (CID 42924851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).