2-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]ethyl]aniline

C16H20N2S — CID 62496584

IUPAC2-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]ethyl]aniline
SMILESNc1ccccc1CCN(Cc1cccs1)C1CC1
InChIInChI=1S/C16H20N2S/c17-16-6-2-1-4-13(16)9-10-18(14-7-8-14)12-15-5-3-11-19-15/h1-6,11,14H,7-10,12,17H2
InChIKeyGIZOKGSKWNPTLH-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.54
Rot. Bonds6

About 2-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]ethyl]aniline

2-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]ethyl]aniline (PubChem CID 62496584) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]ethyl]aniline.

Molecular Properties

Compound Name2-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]ethyl]aniline
PubChem CID62496584
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name2-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]ethyl]aniline
SMILESNc1ccccc1CCN(Cc1cccs1)C1CC1
InChIInChI=1S/C16H20N2S/c17-16-6-2-1-4-13(16)9-10-18(14-7-8-14)12-15-5-3-11-19-15/h1-6,11,14H,7-10,12,17H2
InChIKeyGIZOKGSKWNPTLH-UHFFFAOYSA-N
XLogP3.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.54
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

2-[2-[cyclopropyl(furan-2-ylmethyl)amino]ethyl]aniline
CID 55079204
N-but-3-ynyl-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 63655817
9-[cyclopropyl(thiophen-2-ylmethyl)amino]nonane-1-thiol
CID 105344206
1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]ethyl]cyclopentan-1-amine
CID 64677499
2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]aniline
CID 63774945
4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-2-fluoroaniline
CID 63188821
2-[2-[cyclohexyl(ethyl)amino]ethyl]aniline
CID 55079431
4-N-ethyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine
CID 62808156
4-[cyclopropyl(thiophen-2-ylmethyl)amino]butanoic acid
CID 61448812
2-[[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]methyl]aniline
CID 112640948
2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 43384073
2-[[cyclopropyl(3-fluoropropyl)amino]methyl]aniline
CID 81105780

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]ethyl]aniline?
The IUPAC name of 2-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]ethyl]aniline (CID 62496584) is 2-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]ethyl]aniline.
What is the SMILES notation for 2-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]ethyl]aniline?
The canonical SMILES for 2-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]ethyl]aniline is Nc1ccccc1CCN(Cc1cccs1)C1CC1.
What is the InChIKey of 2-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]ethyl]aniline?
The InChIKey is GIZOKGSKWNPTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c17-16-6-2-1-4-13(16)9-10-18(14-7-8-14)12-15-5-3-11-19-15/h1-6,11,14H,7-10,12,17H2.
What are the key properties of 2-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]ethyl]aniline?
2-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]ethyl]aniline has a molecular weight of 272.42 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]ethyl]aniline is sourced from PubChem (CID 62496584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).