1-(3-aminophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanol

C14H18N2OS — CID 55055156

IUPAC1-(3-aminophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanol
SMILESCN(Cc1cccs1)CC(O)c1cccc(N)c1
InChIInChI=1S/C14H18N2OS/c1-16(9-13-6-3-7-18-13)10-14(17)11-4-2-5-12(15)8-11/h2-8,14,17H,9-10,15H2,1H3
InChIKeyKFNRUKCHJZTOMQ-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.50
Rot. Bonds5

About 1-(3-aminophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanol

1-(3-aminophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanol (PubChem CID 55055156) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-(3-aminophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name1-(3-aminophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanol
PubChem CID55055156
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name1-(3-aminophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanol
SMILESCN(Cc1cccs1)CC(O)c1cccc(N)c1
InChIInChI=1S/C14H18N2OS/c1-16(9-13-6-3-7-18-13)10-14(17)11-4-2-5-12(15)8-11/h2-8,14,17H,9-10,15H2,1H3
InChIKeyKFNRUKCHJZTOMQ-UHFFFAOYSA-N
XLogP2.50
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminophenyl)-2-thiophen-2-ylethanol
CID 106695892
1-(3-aminophenyl)-2-[methyl(2-methylbutyl)amino]ethanol
CID 62265077
4-[[2-(3-aminophenyl)-2-hydroxyethyl]-methylamino]butan-2-ol
CID 113499514
1-N-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 43649767
1-(3-aminophenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
CID 55055591
3-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 43384051
3-amino-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 43527201
1-(3-aminophenyl)-2-[methyl(oxan-4-ylmethyl)amino]ethanol
CID 63725224
2-ethyl-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 65228216
2-[[methyl(thiophen-2-ylmethyl)amino]methyl]butanoic acid
CID 115249975
4-[[[2-(3-aminophenyl)-2-hydroxyethyl]-methylamino]methyl]oxan-4-ol
CID 114948452
1-N-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 43650477

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanol?
The IUPAC name of 1-(3-aminophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanol (CID 55055156) is 1-(3-aminophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanol.
What is the SMILES notation for 1-(3-aminophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanol?
The canonical SMILES for 1-(3-aminophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanol is CN(Cc1cccs1)CC(O)c1cccc(N)c1.
What is the InChIKey of 1-(3-aminophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanol?
The InChIKey is KFNRUKCHJZTOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-16(9-13-6-3-7-18-13)10-14(17)11-4-2-5-12(15)8-11/h2-8,14,17H,9-10,15H2,1H3.
What are the key properties of 1-(3-aminophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanol?
1-(3-aminophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanol has a molecular weight of 262.38 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 55055156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).