N-[(1-phenylcyclopropyl)methyl]-1-thiophen-2-ylmethanamine

C15H17NS — CID 60760072

IUPACN-[(1-phenylcyclopropyl)methyl]-1-thiophen-2-ylmethanamine
SMILESc1ccc(C2(CNCc3cccs3)CC2)cc1
InChIInChI=1S/C15H17NS/c1-2-5-13(6-3-1)15(8-9-15)12-16-11-14-7-4-10-17-14/h1-7,10,16H,8-9,11-12H2
InChIKeyCTVWMQNLBGSWPZ-UHFFFAOYSA-N
MW243.38 g/mol
LogP3.57
Rot. Bonds5

About N-[(1-phenylcyclopropyl)methyl]-1-thiophen-2-ylmethanamine

N-[(1-phenylcyclopropyl)methyl]-1-thiophen-2-ylmethanamine (PubChem CID 60760072) has the molecular formula C15H17NS and a molecular weight of 243.38 g/mol. Its IUPAC name is N-[(1-phenylcyclopropyl)methyl]-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-[(1-phenylcyclopropyl)methyl]-1-thiophen-2-ylmethanamine
PubChem CID60760072
Molecular FormulaC15H17NS
Molecular Weight243.38 g/mol
Exact Mass243.11
IUPAC NameN-[(1-phenylcyclopropyl)methyl]-1-thiophen-2-ylmethanamine
SMILESc1ccc(C2(CNCc3cccs3)CC2)cc1
InChIInChI=1S/C15H17NS/c1-2-5-13(6-3-1)15(8-9-15)12-16-11-14-7-4-10-17-14/h1-7,10,16H,8-9,11-12H2
InChIKeyCTVWMQNLBGSWPZ-UHFFFAOYSA-N
XLogP3.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-[(thiophen-2-ylmethylamino)methyl]cyclopropyl]aniline
CID 112558033
1-(5-chlorothiophen-2-yl)-N-[(1-phenylcyclopropyl)methyl]methanamine
CID 55684111
1-[(thiophen-2-ylmethylamino)methyl]cyclobutan-1-ol
CID 115621566
1-[(thiophen-2-ylmethylamino)methyl]cyclopentan-1-ol
CID 63934542
N-[(1-methylcyclohexyl)methyl]-1-thiophen-2-ylmethanamine
CID 103753045
1-ethyl-3-[(1-phenylcyclopropyl)methyl]-2-(thiophen-2-ylmethyl)guanidine
CID 111260313
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-fluorophenyl)cyclopropyl]methyl]-N-(thiophen-2-ylmethyl)oxamide
CID 42335583
1-phenyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide
CID 2517264
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 103992175

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylcyclopropyl)methyl]-1-thiophen-2-ylmethanamine?
The IUPAC name of N-[(1-phenylcyclopropyl)methyl]-1-thiophen-2-ylmethanamine (CID 60760072) is N-[(1-phenylcyclopropyl)methyl]-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-[(1-phenylcyclopropyl)methyl]-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-[(1-phenylcyclopropyl)methyl]-1-thiophen-2-ylmethanamine is c1ccc(C2(CNCc3cccs3)CC2)cc1.
What is the InChIKey of N-[(1-phenylcyclopropyl)methyl]-1-thiophen-2-ylmethanamine?
The InChIKey is CTVWMQNLBGSWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NS/c1-2-5-13(6-3-1)15(8-9-15)12-16-11-14-7-4-10-17-14/h1-7,10,16H,8-9,11-12H2.
What are the key properties of N-[(1-phenylcyclopropyl)methyl]-1-thiophen-2-ylmethanamine?
N-[(1-phenylcyclopropyl)methyl]-1-thiophen-2-ylmethanamine has a molecular weight of 243.38 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylcyclopropyl)methyl]-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 60760072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).