1-(2-aminophenyl)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethanol

C16H22N2OS — CID 62265973

IUPAC1-(2-aminophenyl)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethanol
SMILESCC(C)N(Cc1cccs1)CC(O)c1ccccc1N
InChIInChI=1S/C16H22N2OS/c1-12(2)18(10-13-6-5-9-20-13)11-16(19)14-7-3-4-8-15(14)17/h3-9,12,16,19H,10-11,17H2,1-2H3
InChIKeyBPMNARFSCJVXBR-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.27
Rot. Bonds6

About 1-(2-aminophenyl)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethanol

1-(2-aminophenyl)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethanol (PubChem CID 62265973) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-(2-aminophenyl)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name1-(2-aminophenyl)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethanol
PubChem CID62265973
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name1-(2-aminophenyl)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethanol
SMILESCC(C)N(Cc1cccs1)CC(O)c1ccccc1N
InChIInChI=1S/C16H22N2OS/c1-12(2)18(10-13-6-5-9-20-13)11-16(19)14-7-3-4-8-15(14)17/h3-9,12,16,19H,10-11,17H2,1-2H3
InChIKeyBPMNARFSCJVXBR-UHFFFAOYSA-N
XLogP3.27
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.27
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

(2S)-1-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 106932766
2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 43384073
2-[2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethoxy]aniline
CID 61452973
2-ethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 65232586
(1R)-1-[2-[methyl(thiophen-2-ylmethyl)amino]phenyl]ethanol
CID 78939689
1-ethoxy-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 63932948
(1S)-1-[2-[methyl(2-thiophen-2-ylethyl)amino]phenyl]ethanol
CID 79486328
1-[2-[ethyl(thiophen-2-ylmethyl)amino]phenyl]ethanol
CID 61436988
N'-propan-2-yl-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 65232585
1-(2-methylphenyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62623242
3-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 43384051
N-[[3-(aminomethyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
CID 61453411

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethanol?
The IUPAC name of 1-(2-aminophenyl)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethanol (CID 62265973) is 1-(2-aminophenyl)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethanol.
What is the SMILES notation for 1-(2-aminophenyl)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethanol?
The canonical SMILES for 1-(2-aminophenyl)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethanol is CC(C)N(Cc1cccs1)CC(O)c1ccccc1N.
What is the InChIKey of 1-(2-aminophenyl)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethanol?
The InChIKey is BPMNARFSCJVXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-12(2)18(10-13-6-5-9-20-13)11-16(19)14-7-3-4-8-15(14)17/h3-9,12,16,19H,10-11,17H2,1-2H3.
What are the key properties of 1-(2-aminophenyl)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethanol?
1-(2-aminophenyl)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethanol has a molecular weight of 290.43 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 62265973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).