N-benzyl-1-thiophen-2-ylethanamine

C13H15NS — CID 43177509

IUPACN-benzyl-1-thiophen-2-ylethanamine
SMILESCC(NCc1ccccc1)c1cccs1
InChIInChI=1S/C13H15NS/c1-11(13-8-5-9-15-13)14-10-12-6-3-2-4-7-12/h2-9,11,14H,10H2,1H3
InChIKeyQUUMHQDUGIQJST-UHFFFAOYSA-N
MW217.34 g/mol
LogP3.60
Rot. Bonds4

About N-benzyl-1-thiophen-2-ylethanamine

N-benzyl-1-thiophen-2-ylethanamine (PubChem CID 43177509) has the molecular formula C13H15NS and a molecular weight of 217.34 g/mol. Its IUPAC name is N-benzyl-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-benzyl-1-thiophen-2-ylethanamine
PubChem CID43177509
Molecular FormulaC13H15NS
Molecular Weight217.34 g/mol
Exact Mass217.09
IUPAC NameN-benzyl-1-thiophen-2-ylethanamine
SMILESCC(NCc1ccccc1)c1cccs1
InChIInChI=1S/C13H15NS/c1-11(13-8-5-9-15-13)14-10-12-6-3-2-4-7-12/h2-9,11,14H,10H2,1H3
InChIKeyQUUMHQDUGIQJST-UHFFFAOYSA-N
XLogP3.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1-thiophen-2-ylethanamine
CID 43178109
(1S)-N-[(3,5-dimethylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81398150
(1S)-N-[(3-fluorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 28683392
(1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine
CID 28668621
2-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]phenol
CID 28683494
(1S)-N-[(3-cyclopropylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81398469
(1S)-N-[(3,4-dichlorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 28683372
2-(benzylamino)-3-methyl-1-thiophen-2-ylbutan-1-ol
CID 82314555
(1R)-1-thiophen-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine
CID 29045722
3-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]benzonitrile
CID 28683484
N-[(2-fluorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 43178818
(1R)-N-[(2-cyclopropylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81398472

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-thiophen-2-ylethanamine?
The IUPAC name of N-benzyl-1-thiophen-2-ylethanamine (CID 43177509) is N-benzyl-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-benzyl-1-thiophen-2-ylethanamine?
The canonical SMILES for N-benzyl-1-thiophen-2-ylethanamine is CC(NCc1ccccc1)c1cccs1.
What is the InChIKey of N-benzyl-1-thiophen-2-ylethanamine?
The InChIKey is QUUMHQDUGIQJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NS/c1-11(13-8-5-9-15-13)14-10-12-6-3-2-4-7-12/h2-9,11,14H,10H2,1H3.
What are the key properties of N-benzyl-1-thiophen-2-ylethanamine?
N-benzyl-1-thiophen-2-ylethanamine has a molecular weight of 217.34 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-thiophen-2-ylethanamine is sourced from PubChem (CID 43177509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).