4-[1-[(thiophen-2-ylmethylamino)methyl]cyclopropyl]aniline

C15H18N2S — CID 112558033

IUPAC4-[1-[(thiophen-2-ylmethylamino)methyl]cyclopropyl]aniline
SMILESNc1ccc(C2(CNCc3cccs3)CC2)cc1
InChIInChI=1S/C15H18N2S/c16-13-5-3-12(4-6-13)15(7-8-15)11-17-10-14-2-1-9-18-14/h1-6,9,17H,7-8,10-11,16H2
InChIKeyYTVCYVCXMADWDD-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.15
Rot. Bonds5

About 4-[1-[(thiophen-2-ylmethylamino)methyl]cyclopropyl]aniline

4-[1-[(thiophen-2-ylmethylamino)methyl]cyclopropyl]aniline (PubChem CID 112558033) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 4-[1-[(thiophen-2-ylmethylamino)methyl]cyclopropyl]aniline.

Molecular Properties

Compound Name4-[1-[(thiophen-2-ylmethylamino)methyl]cyclopropyl]aniline
PubChem CID112558033
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name4-[1-[(thiophen-2-ylmethylamino)methyl]cyclopropyl]aniline
SMILESNc1ccc(C2(CNCc3cccs3)CC2)cc1
InChIInChI=1S/C15H18N2S/c16-13-5-3-12(4-6-13)15(7-8-15)11-17-10-14-2-1-9-18-14/h1-6,9,17H,7-8,10-11,16H2
InChIKeyYTVCYVCXMADWDD-UHFFFAOYSA-N
XLogP3.15
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-phenylcyclopropyl)methyl]-1-thiophen-2-ylmethanamine
CID 60760072
4-[1-[[(3-bromothiophen-2-yl)methylamino]methyl]cyclopropyl]aniline
CID 112558192
1-[(thiophen-2-ylmethylamino)methyl]cyclobutan-1-ol
CID 115621566
1-[(thiophen-2-ylmethylamino)methyl]cyclopentan-1-ol
CID 63934542
4-[2-(thiophen-2-ylmethylamino)ethyl]aniline
CID 61150605
N-[(1-methylcyclohexyl)methyl]-1-thiophen-2-ylmethanamine
CID 103753045
N'-[[1-(4-fluorophenyl)cyclopropyl]methyl]-N-(thiophen-2-ylmethyl)oxamide
CID 42335583
4-[(thiophen-2-ylmethylamino)methyl]oxan-4-ol
CID 78928808
N-[(1-propylcyclobutyl)methyl]-1-thiophen-2-ylmethanamine
CID 115694272
N-(1-adamantylmethyl)-1-thiophen-2-ylmethanamine
CID 55027346
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 103992175
N-[(4-methylsulfanyloxan-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 115655467

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(thiophen-2-ylmethylamino)methyl]cyclopropyl]aniline?
The IUPAC name of 4-[1-[(thiophen-2-ylmethylamino)methyl]cyclopropyl]aniline (CID 112558033) is 4-[1-[(thiophen-2-ylmethylamino)methyl]cyclopropyl]aniline.
What is the SMILES notation for 4-[1-[(thiophen-2-ylmethylamino)methyl]cyclopropyl]aniline?
The canonical SMILES for 4-[1-[(thiophen-2-ylmethylamino)methyl]cyclopropyl]aniline is Nc1ccc(C2(CNCc3cccs3)CC2)cc1.
What is the InChIKey of 4-[1-[(thiophen-2-ylmethylamino)methyl]cyclopropyl]aniline?
The InChIKey is YTVCYVCXMADWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c16-13-5-3-12(4-6-13)15(7-8-15)11-17-10-14-2-1-9-18-14/h1-6,9,17H,7-8,10-11,16H2.
What are the key properties of 4-[1-[(thiophen-2-ylmethylamino)methyl]cyclopropyl]aniline?
4-[1-[(thiophen-2-ylmethylamino)methyl]cyclopropyl]aniline has a molecular weight of 258.39 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(thiophen-2-ylmethylamino)methyl]cyclopropyl]aniline is sourced from PubChem (CID 112558033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).