4-[5-[[methyl(2-phenylethyl)amino]methyl]thiophen-2-yl]but-3-yn-1-ol

C18H21NOS — CID 65488783

IUPAC4-[5-[[methyl(2-phenylethyl)amino]methyl]thiophen-2-yl]but-3-yn-1-ol
SMILESCN(CCc1ccccc1)Cc1ccc(C#CCCO)s1
InChIInChI=1S/C18H21NOS/c1-19(13-12-16-7-3-2-4-8-16)15-18-11-10-17(21-18)9-5-6-14-20/h2-4,7-8,10-11,20H,6,12-15H2,1H3
InChIKeyDHPBNBBBECYMTA-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.16
Rot. Bonds6

About 4-[5-[[methyl(2-phenylethyl)amino]methyl]thiophen-2-yl]but-3-yn-1-ol

4-[5-[[methyl(2-phenylethyl)amino]methyl]thiophen-2-yl]but-3-yn-1-ol (PubChem CID 65488783) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is 4-[5-[[methyl(2-phenylethyl)amino]methyl]thiophen-2-yl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[5-[[methyl(2-phenylethyl)amino]methyl]thiophen-2-yl]but-3-yn-1-ol
PubChem CID65488783
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC Name4-[5-[[methyl(2-phenylethyl)amino]methyl]thiophen-2-yl]but-3-yn-1-ol
SMILESCN(CCc1ccccc1)Cc1ccc(C#CCCO)s1
InChIInChI=1S/C18H21NOS/c1-19(13-12-16-7-3-2-4-8-16)15-18-11-10-17(21-18)9-5-6-14-20/h2-4,7-8,10-11,20H,6,12-15H2,1H3
InChIKeyDHPBNBBBECYMTA-UHFFFAOYSA-N
XLogP3.16
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-[5-[[methyl(2-phenylethyl)amino]methyl]thiophen-2-yl]but-3-yn-1-ol with MolForge

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Related Compounds

4-[5-[[methyl(2-methylsulfanylethyl)amino]methyl]thiophen-2-yl]but-3-yn-1-ol
CID 112663907
4-[5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]thiophen-2-yl]but-3-yn-1-ol
CID 105416374
N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 3065791
(2R)-1-amino-2-methyl-4-[5-(4-phenylbut-1-ynyl)thiophen-2-yl]butan-1-ol;oxalic acid
CID 20721223
3-[5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]thiophen-2-yl]prop-2-yn-1-ol
CID 105416381
N-[3-(dimethylamino)propyl]-5-(4-hydroxybut-1-ynyl)-N-methylthiophene-2-carboxamide
CID 63699675
1-[[5-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-4-methylpyrazine-2,3-dione
CID 62929090
4-[3-[[methyl(propyl)amino]methyl]phenyl]but-3-yn-1-ol
CID 54969699
3-[5-[[methyl(oxan-4-ylmethyl)amino]methyl]thiophen-2-yl]prop-2-yn-1-ol
CID 63712300
N-benzyl-N-methylpent-3-yn-1-amine
CID 145321496
3-[2-[[methyl(2-phenylethyl)amino]methyl]phenyl]prop-2-yn-1-amine
CID 65488226
4-[3-[[2-methoxyethyl(methyl)amino]methyl]phenyl]but-3-yn-1-ol
CID 54970325

Frequently Asked Questions

What is the IUPAC name of 4-[5-[[methyl(2-phenylethyl)amino]methyl]thiophen-2-yl]but-3-yn-1-ol?
The IUPAC name of 4-[5-[[methyl(2-phenylethyl)amino]methyl]thiophen-2-yl]but-3-yn-1-ol (CID 65488783) is 4-[5-[[methyl(2-phenylethyl)amino]methyl]thiophen-2-yl]but-3-yn-1-ol.
What is the SMILES notation for 4-[5-[[methyl(2-phenylethyl)amino]methyl]thiophen-2-yl]but-3-yn-1-ol?
The canonical SMILES for 4-[5-[[methyl(2-phenylethyl)amino]methyl]thiophen-2-yl]but-3-yn-1-ol is CN(CCc1ccccc1)Cc1ccc(C#CCCO)s1.
What is the InChIKey of 4-[5-[[methyl(2-phenylethyl)amino]methyl]thiophen-2-yl]but-3-yn-1-ol?
The InChIKey is DHPBNBBBECYMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c1-19(13-12-16-7-3-2-4-8-16)15-18-11-10-17(21-18)9-5-6-14-20/h2-4,7-8,10-11,20H,6,12-15H2,1H3.
What are the key properties of 4-[5-[[methyl(2-phenylethyl)amino]methyl]thiophen-2-yl]but-3-yn-1-ol?
4-[5-[[methyl(2-phenylethyl)amino]methyl]thiophen-2-yl]but-3-yn-1-ol has a molecular weight of 299.44 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[methyl(2-phenylethyl)amino]methyl]thiophen-2-yl]but-3-yn-1-ol is sourced from PubChem (CID 65488783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).