2-[(2-chlorophenyl)methyl]-4-thiophen-2-ylbutan-1-amine

C15H18ClNS — CID 63774826

IUPAC2-[(2-chlorophenyl)methyl]-4-thiophen-2-ylbutan-1-amine
SMILESNCC(CCc1cccs1)Cc1ccccc1Cl
InChIInChI=1S/C15H18ClNS/c16-15-6-2-1-4-13(15)10-12(11-17)7-8-14-5-3-9-18-14/h1-6,9,12H,7-8,10-11,17H2
InChIKeyDFIQBUVZLTYDGS-UHFFFAOYSA-N
MW279.84 g/mol
LogP4.15
Rot. Bonds6

About 2-[(2-chlorophenyl)methyl]-4-thiophen-2-ylbutan-1-amine

2-[(2-chlorophenyl)methyl]-4-thiophen-2-ylbutan-1-amine (PubChem CID 63774826) has the molecular formula C15H18ClNS and a molecular weight of 279.84 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-4-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-4-thiophen-2-ylbutan-1-amine
PubChem CID63774826
Molecular FormulaC15H18ClNS
Molecular Weight279.84 g/mol
Exact Mass279.08
IUPAC Name2-[(2-chlorophenyl)methyl]-4-thiophen-2-ylbutan-1-amine
SMILESNCC(CCc1cccs1)Cc1ccccc1Cl
InChIInChI=1S/C15H18ClNS/c16-15-6-2-1-4-13(15)10-12(11-17)7-8-14-5-3-9-18-14/h1-6,9,12H,7-8,10-11,17H2
InChIKeyDFIQBUVZLTYDGS-UHFFFAOYSA-N
XLogP4.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.84
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chlorophenyl)methyl]-3-thiophen-2-ylpropan-1-amine
CID 62528407
2-[(2-chlorophenyl)methyl]-N-propyl-4-thiophen-2-ylbutan-1-amine
CID 63775947
2-(aminomethyl)-4-thiophen-2-ylbutan-1-ol
CID 63774699
2-ethyl-4-thiophen-2-ylbutan-1-amine
CID 63774088
2-[(2-chlorophenyl)methyl]-4-(2-methylpyrazol-3-yl)butan-1-amine
CID 103014266
2-[(2-chlorophenyl)methyl]-6-methylheptan-1-amine
CID 83169265
2-[(2-chlorophenyl)methyl]heptan-1-amine
CID 63497774
2-[(3-fluorophenyl)methyl]-4-thiophen-2-ylbutan-1-amine
CID 63774451
2-[(2-chlorophenyl)methyl]-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 62515283
2-[(4-bromothiophen-2-yl)methyl]-3-(2-chlorophenyl)propan-1-amine
CID 62529611
2-[(2-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309628
2-benzyl-3-(2-chlorophenyl)propan-1-amine
CID 62504845

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-4-thiophen-2-ylbutan-1-amine?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-4-thiophen-2-ylbutan-1-amine (CID 63774826) is 2-[(2-chlorophenyl)methyl]-4-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-4-thiophen-2-ylbutan-1-amine?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-4-thiophen-2-ylbutan-1-amine is NCC(CCc1cccs1)Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-4-thiophen-2-ylbutan-1-amine?
The InChIKey is DFIQBUVZLTYDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNS/c16-15-6-2-1-4-13(15)10-12(11-17)7-8-14-5-3-9-18-14/h1-6,9,12H,7-8,10-11,17H2.
What are the key properties of 2-[(2-chlorophenyl)methyl]-4-thiophen-2-ylbutan-1-amine?
2-[(2-chlorophenyl)methyl]-4-thiophen-2-ylbutan-1-amine has a molecular weight of 279.84 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-4-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 63774826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).