3-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]aniline

C15H18N2S — CID 43646266

IUPAC3-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]aniline
SMILESNc1cccc(CN(Cc2ccsc2)C2CC2)c1
InChIInChI=1S/C15H18N2S/c16-14-3-1-2-12(8-14)9-17(15-4-5-15)10-13-6-7-18-11-13/h1-3,6-8,11,15H,4-5,9-10,16H2
InChIKeyVCPSOARAJXTFPI-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.49
Rot. Bonds5

About 3-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]aniline

3-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]aniline (PubChem CID 43646266) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 3-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]aniline.

Molecular Properties

Compound Name3-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]aniline
PubChem CID43646266
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name3-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]aniline
SMILESNc1cccc(CN(Cc2ccsc2)C2CC2)c1
InChIInChI=1S/C15H18N2S/c16-14-3-1-2-12(8-14)9-17(15-4-5-15)10-13-6-7-18-11-13/h1-3,6-8,11,15H,4-5,9-10,16H2
InChIKeyVCPSOARAJXTFPI-UHFFFAOYSA-N
XLogP3.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-N-cyclopropyl-3-N-(thiophen-3-ylmethyl)benzene-1,3-diamine
CID 61433428
4-amino-2-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]phenol
CID 61434027
3-[[cyclopropyl-[(3,5-dimethylphenyl)methyl]amino]methyl]aniline
CID 61030225
6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]pyridin-2-amine
CID 79243021
2-amino-4-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]phenol
CID 61434075
3-[[cyclopropyl-[(3,4-dichlorophenyl)methyl]amino]methyl]aniline
CID 43460843
N-[[2-(aminomethyl)phenyl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61433648
3-[[cyclopropyl(prop-2-enyl)amino]methyl]aniline
CID 115563307
3-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]aniline
CID 43460831
5-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-2-methoxyaniline
CID 61433786
5-bromo-2-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]aniline
CID 79712882
N-[(4-iodophenyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 65478755

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]aniline?
The IUPAC name of 3-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]aniline (CID 43646266) is 3-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]aniline.
What is the SMILES notation for 3-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]aniline?
The canonical SMILES for 3-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]aniline is Nc1cccc(CN(Cc2ccsc2)C2CC2)c1.
What is the InChIKey of 3-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]aniline?
The InChIKey is VCPSOARAJXTFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c16-14-3-1-2-12(8-14)9-17(15-4-5-15)10-13-6-7-18-11-13/h1-3,6-8,11,15H,4-5,9-10,16H2.
What are the key properties of 3-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]aniline?
3-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]aniline has a molecular weight of 258.39 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]aniline is sourced from PubChem (CID 43646266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).