2-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]propyl]phenol

C17H24N2OS — CID 43109781

IUPAC2-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]propyl]phenol
SMILESCCC(NCC(c1cccs1)N(C)C)c1ccccc1O
InChIInChI=1S/C17H24N2OS/c1-4-14(13-8-5-6-9-16(13)20)18-12-15(19(2)3)17-10-7-11-21-17/h5-11,14-15,18,20H,4,12H2,1-3H3
InChIKeyRONNXXCMUDOCAN-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.80
Rot. Bonds7

About 2-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]propyl]phenol

2-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]propyl]phenol (PubChem CID 43109781) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]propyl]phenol.

Molecular Properties

Compound Name2-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]propyl]phenol
PubChem CID43109781
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name2-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]propyl]phenol
SMILESCCC(NCC(c1cccs1)N(C)C)c1ccccc1O
InChIInChI=1S/C17H24N2OS/c1-4-14(13-8-5-6-9-16(13)20)18-12-15(19(2)3)17-10-7-11-21-17/h5-11,14-15,18,20H,4,12H2,1-3H3
InChIKeyRONNXXCMUDOCAN-UHFFFAOYSA-N
XLogP3.80
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-N'-(2-methyl-1-thiophen-2-ylpropyl)-1-thiophen-2-ylethane-1,2-diamine
CID 43770180
N,N-dimethyl-N'-(5-methylheptan-3-yl)-1-thiophen-2-ylethane-1,2-diamine
CID 43106519
3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-2-methylbutan-2-ol
CID 65332852
2-[1-(methylamino)propyl]phenol
CID 12862798
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
2-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]propyl]phenol
CID 63294662
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide
CID 51072640
N,N-dimethyl-N'-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-2-ylethane-1,2-diamine
CID 43363267
(2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide;dihydrochloride
CID 119830043
4-[[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]methyl]benzene-1,2-diol
CID 43182622
2-[1-[2-[2-methoxyethyl(methyl)amino]ethylamino]propyl]phenol
CID 62844463
2-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]guanidine
CID 52501435

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]propyl]phenol?
The IUPAC name of 2-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]propyl]phenol (CID 43109781) is 2-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]propyl]phenol.
What is the SMILES notation for 2-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]propyl]phenol?
The canonical SMILES for 2-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]propyl]phenol is CCC(NCC(c1cccs1)N(C)C)c1ccccc1O.
What is the InChIKey of 2-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]propyl]phenol?
The InChIKey is RONNXXCMUDOCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-4-14(13-8-5-6-9-16(13)20)18-12-15(19(2)3)17-10-7-11-21-17/h5-11,14-15,18,20H,4,12H2,1-3H3.
What are the key properties of 2-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]propyl]phenol?
2-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]propyl]phenol has a molecular weight of 304.46 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]propyl]phenol is sourced from PubChem (CID 43109781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).