5-[4-[[2-(diethylamino)ethyl-(2-phenylethyl)amino]methyl]phenyl]thiophene-2-carbaldehyde;hydroxylamine

C26H35N3O2S — CID 143040071

IUPAC5-[4-[[2-(diethylamino)ethyl-(2-phenylethyl)amino]methyl]phenyl]thiophene-2-carbaldehyde;hydroxylamine
SMILESCCN(CC)CCN(CCc1ccccc1)Cc1ccc(-c2ccc(C=O)s2)cc1.NO
InChIInChI=1S/C26H32N2OS.H3NO/c1-3-27(4-2)18-19-28(17-16-22-8-6-5-7-9-22)20-23-10-12-24(13-11-23)26-15-14-25(21-29)30-26;1-2/h5-15,21H,3-4,16-20H2,1-2H3;2H,1H2
InChIKeyBATZXHIOHRQROH-UHFFFAOYSA-N
MW453.65 g/mol
LogP4.95
Rot. Bonds12

About 5-[4-[[2-(diethylamino)ethyl-(2-phenylethyl)amino]methyl]phenyl]thiophene-2-carbaldehyde;hydroxylamine

5-[4-[[2-(diethylamino)ethyl-(2-phenylethyl)amino]methyl]phenyl]thiophene-2-carbaldehyde;hydroxylamine (PubChem CID 143040071) has the molecular formula C26H35N3O2S and a molecular weight of 453.65 g/mol. Its IUPAC name is 5-[4-[[2-(diethylamino)ethyl-(2-phenylethyl)amino]methyl]phenyl]thiophene-2-carbaldehyde;hydroxylamine.

Molecular Properties

Compound Name5-[4-[[2-(diethylamino)ethyl-(2-phenylethyl)amino]methyl]phenyl]thiophene-2-carbaldehyde;hydroxylamine
PubChem CID143040071
Molecular FormulaC26H35N3O2S
Molecular Weight453.65 g/mol
Exact Mass453.24
IUPAC Name5-[4-[[2-(diethylamino)ethyl-(2-phenylethyl)amino]methyl]phenyl]thiophene-2-carbaldehyde;hydroxylamine
SMILESCCN(CC)CCN(CCc1ccccc1)Cc1ccc(-c2ccc(C=O)s2)cc1.NO
InChIInChI=1S/C26H32N2OS.H3NO/c1-3-27(4-2)18-19-28(17-16-22-8-6-5-7-9-22)20-23-10-12-24(13-11-23)26-15-14-25(21-29)30-26;1-2/h5-15,21H,3-4,16-20H2,1-2H3;2H,1H2
InChIKeyBATZXHIOHRQROH-UHFFFAOYSA-N
XLogP4.95
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.65
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[3-[[benzyl(2-phenylethyl)amino]methyl]phenyl]thiophene-2-carbaldehyde;N-methylhydroxylamine
CID 143033279
N-[[4-[[bis(2-phenylethyl)amino]methyl]phenyl]methyl]-2-phenyl-N-(2-phenylethyl)ethanamine
CID 59482591
4-[2-[benzyl(ethyl)amino]ethyl]phenol
CID 82187934
5-[4-[2-hydroxyethyl(methyl)amino]phenyl]thiophene-2-carbaldehyde
CID 138667112
N'-ethyl-N,N-dimethyl-N'-[(4-phenylphenyl)methyl]ethane-1,2-diamine;oxalic acid
CID 6456297
5-[4-(N-(4-thiophen-2-ylphenyl)anilino)phenyl]thiophene-2-carbaldehyde
CID 72702102
(2S)-5-amino-2-[[4-(5-formylthiophen-2-yl)benzoyl]-(2-methyl-1-phenylpropan-2-yl)amino]-5-oxopentanoic acid
CID 87359834
(3E,5Z)-1-[ethyl(2-phenylethyl)amino]-2-methylhepta-3,5-dien-3-ol
CID 142896900
2-(4-ethenylphenyl)-N,N-diethylethanamine;styrene
CID 159854693
N'-[(3-ethylphenyl)methyl]-N,N-dimethyl-N'-(2-phenylethyl)ethane-1,2-diamine
CID 70827105
4-[2-(diethylamino)ethyl]-N-(3-phenylpropyl)aniline
CID 83963050
azane;N,N-diethyl-3-phenylpropan-1-amine;hydroiodide
CID 175520694

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[2-(diethylamino)ethyl-(2-phenylethyl)amino]methyl]phenyl]thiophene-2-carbaldehyde;hydroxylamine?
The IUPAC name of 5-[4-[[2-(diethylamino)ethyl-(2-phenylethyl)amino]methyl]phenyl]thiophene-2-carbaldehyde;hydroxylamine (CID 143040071) is 5-[4-[[2-(diethylamino)ethyl-(2-phenylethyl)amino]methyl]phenyl]thiophene-2-carbaldehyde;hydroxylamine.
What is the SMILES notation for 5-[4-[[2-(diethylamino)ethyl-(2-phenylethyl)amino]methyl]phenyl]thiophene-2-carbaldehyde;hydroxylamine?
The canonical SMILES for 5-[4-[[2-(diethylamino)ethyl-(2-phenylethyl)amino]methyl]phenyl]thiophene-2-carbaldehyde;hydroxylamine is CCN(CC)CCN(CCc1ccccc1)Cc1ccc(-c2ccc(C=O)s2)cc1.NO.
What is the InChIKey of 5-[4-[[2-(diethylamino)ethyl-(2-phenylethyl)amino]methyl]phenyl]thiophene-2-carbaldehyde;hydroxylamine?
The InChIKey is BATZXHIOHRQROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2OS.H3NO/c1-3-27(4-2)18-19-28(17-16-22-8-6-5-7-9-22)20-23-10-12-24(13-11-23)26-15-14-25(21-29)30-26;1-2/h5-15,21H,3-4,16-20H2,1-2H3;2H,1H2.
What are the key properties of 5-[4-[[2-(diethylamino)ethyl-(2-phenylethyl)amino]methyl]phenyl]thiophene-2-carbaldehyde;hydroxylamine?
5-[4-[[2-(diethylamino)ethyl-(2-phenylethyl)amino]methyl]phenyl]thiophene-2-carbaldehyde;hydroxylamine has a molecular weight of 453.65 g/mol, XLogP of 4.95, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[2-(diethylamino)ethyl-(2-phenylethyl)amino]methyl]phenyl]thiophene-2-carbaldehyde;hydroxylamine is sourced from PubChem (CID 143040071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).