2-benzyl-N-methyl-4-thiophen-2-ylbutan-1-amine

C16H21NS — CID 63775568

IUPAC2-benzyl-N-methyl-4-thiophen-2-ylbutan-1-amine
SMILESCNCC(CCc1cccs1)Cc1ccccc1
InChIInChI=1S/C16H21NS/c1-17-13-15(9-10-16-8-5-11-18-16)12-14-6-3-2-4-7-14/h2-8,11,15,17H,9-10,12-13H2,1H3
InChIKeyQVLJQPNKOUOIIN-UHFFFAOYSA-N
MW259.42 g/mol
LogP3.76
Rot. Bonds7

About 2-benzyl-N-methyl-4-thiophen-2-ylbutan-1-amine

2-benzyl-N-methyl-4-thiophen-2-ylbutan-1-amine (PubChem CID 63775568) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is 2-benzyl-N-methyl-4-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-benzyl-N-methyl-4-thiophen-2-ylbutan-1-amine
PubChem CID63775568
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC Name2-benzyl-N-methyl-4-thiophen-2-ylbutan-1-amine
SMILESCNCC(CCc1cccs1)Cc1ccccc1
InChIInChI=1S/C16H21NS/c1-17-13-15(9-10-16-8-5-11-18-16)12-14-6-3-2-4-7-14/h2-8,11,15,17H,9-10,12-13H2,1H3
InChIKeyQVLJQPNKOUOIIN-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chlorophenyl)methyl]-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 63775752
2-[(4-bromophenyl)methyl]-N-ethyl-4-thiophen-2-ylbutan-1-amine
CID 63773559
2-[(4-methoxyphenyl)methyl]-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 62514535
N-methyl-2-[(3-methylphenyl)methyl]-3-thiophen-2-ylpropan-1-amine
CID 55082726
N-methyl-2-phenyl-5-thiophen-2-ylpentan-1-amine
CID 81023830
N-methyl-6-phenyl-1-thiophen-2-ylhexan-3-amine
CID 105150151
2-benzyl-N-methyldecan-1-amine
CID 63498488
1-phenyl-N-(2-thiophen-2-ylethyl)butan-2-amine
CID 79007188
2-[(2-bromophenyl)methyl]-N-ethyl-4-thiophen-2-ylbutan-1-amine
CID 63773561
N-methyl-1-phenyl-6-thiophen-2-ylhexan-3-amine
CID 105094221
2-benzyl-N-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103014288
(2S)-N-methyl-4-thiophen-2-ylbutan-2-amine
CID 42077642

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-methyl-4-thiophen-2-ylbutan-1-amine?
The IUPAC name of 2-benzyl-N-methyl-4-thiophen-2-ylbutan-1-amine (CID 63775568) is 2-benzyl-N-methyl-4-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for 2-benzyl-N-methyl-4-thiophen-2-ylbutan-1-amine?
The canonical SMILES for 2-benzyl-N-methyl-4-thiophen-2-ylbutan-1-amine is CNCC(CCc1cccs1)Cc1ccccc1.
What is the InChIKey of 2-benzyl-N-methyl-4-thiophen-2-ylbutan-1-amine?
The InChIKey is QVLJQPNKOUOIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-17-13-15(9-10-16-8-5-11-18-16)12-14-6-3-2-4-7-14/h2-8,11,15,17H,9-10,12-13H2,1H3.
What are the key properties of 2-benzyl-N-methyl-4-thiophen-2-ylbutan-1-amine?
2-benzyl-N-methyl-4-thiophen-2-ylbutan-1-amine has a molecular weight of 259.42 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-methyl-4-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 63775568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).