4-amino-2-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]phenol

C15H18N2OS — CID 61434027

IUPAC4-amino-2-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]phenol
SMILESNc1ccc(O)c(CN(Cc2ccsc2)C2CC2)c1
InChIInChI=1S/C15H18N2OS/c16-13-1-4-15(18)12(7-13)9-17(14-2-3-14)8-11-5-6-19-10-11/h1,4-7,10,14,18H,2-3,8-9,16H2
InChIKeyJPLWVHAASYUTDT-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.20
Rot. Bonds5

About 4-amino-2-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]phenol

4-amino-2-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]phenol (PubChem CID 61434027) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 4-amino-2-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]phenol.

Molecular Properties

Compound Name4-amino-2-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]phenol
PubChem CID61434027
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name4-amino-2-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]phenol
SMILESNc1ccc(O)c(CN(Cc2ccsc2)C2CC2)c1
InChIInChI=1S/C15H18N2OS/c16-13-1-4-15(18)12(7-13)9-17(14-2-3-14)8-11-5-6-19-10-11/h1,4-7,10,14,18H,2-3,8-9,16H2
InChIKeyJPLWVHAASYUTDT-UHFFFAOYSA-N
XLogP3.20
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]phenol
CID 61434075
3-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]aniline
CID 43646266
5-bromo-2-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]aniline
CID 79712882
N-[[2-(aminomethyl)phenyl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61433648
2-[cyclopropyl(thiophen-3-ylmethyl)amino]acetamide
CID 47288219
2-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]benzenecarbothioamide
CID 61434453
4-[cyclopropyl(thiophen-3-ylmethyl)amino]but-2-enoic acid
CID 76940728
(E)-4-[cyclopropyl(thiophen-3-ylmethyl)amino]but-2-enoic acid
CID 62342528
5-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-2-methoxyaniline
CID 61433786
2-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]benzohydrazide
CID 63583264
N-[(4-iodophenyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 65478755
3-N-cyclopropyl-3-N-(thiophen-3-ylmethyl)benzene-1,3-diamine
CID 61433428

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]phenol?
The IUPAC name of 4-amino-2-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]phenol (CID 61434027) is 4-amino-2-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]phenol.
What is the SMILES notation for 4-amino-2-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]phenol?
The canonical SMILES for 4-amino-2-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]phenol is Nc1ccc(O)c(CN(Cc2ccsc2)C2CC2)c1.
What is the InChIKey of 4-amino-2-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]phenol?
The InChIKey is JPLWVHAASYUTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c16-13-1-4-15(18)12(7-13)9-17(14-2-3-14)8-11-5-6-19-10-11/h1,4-7,10,14,18H,2-3,8-9,16H2.
What are the key properties of 4-amino-2-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]phenol?
4-amino-2-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]phenol has a molecular weight of 274.39 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]phenol is sourced from PubChem (CID 61434027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).