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

C16H20ClNS — CID 63775752

IUPAC2-[(4-chlorophenyl)methyl]-N-methyl-4-thiophen-2-ylbutan-1-amine
SMILESCNCC(CCc1cccs1)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H20ClNS/c1-18-12-14(6-9-16-3-2-10-19-16)11-13-4-7-15(17)8-5-13/h2-5,7-8,10,14,18H,6,9,11-12H2,1H3
InChIKeyUIDQWMKNMMVIRK-UHFFFAOYSA-N
MW293.86 g/mol
LogP4.41
Rot. Bonds7

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

2-[(4-chlorophenyl)methyl]-N-methyl-4-thiophen-2-ylbutan-1-amine (PubChem CID 63775752) has the molecular formula C16H20ClNS and a molecular weight of 293.86 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-N-methyl-4-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-N-methyl-4-thiophen-2-ylbutan-1-amine
PubChem CID63775752
Molecular FormulaC16H20ClNS
Molecular Weight293.86 g/mol
Exact Mass293.10
IUPAC Name2-[(4-chlorophenyl)methyl]-N-methyl-4-thiophen-2-ylbutan-1-amine
SMILESCNCC(CCc1cccs1)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H20ClNS/c1-18-12-14(6-9-16-3-2-10-19-16)11-13-4-7-15(17)8-5-13/h2-5,7-8,10,14,18H,6,9,11-12H2,1H3
InChIKeyUIDQWMKNMMVIRK-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.86
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 63775568
1-(4-chlorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine
CID 63774235
1-(4-chlorophenyl)-4-thiophen-2-ylbutan-2-amine
CID 63774417
2-[(4-bromophenyl)methyl]-N-ethyl-4-thiophen-2-ylbutan-1-amine
CID 63773559
2-[(4-chlorophenyl)methyl]-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 62515744
2-[(4-methoxyphenyl)methyl]-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 62514535
1-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)propan-2-amine
CID 43677636
2-[(3-bromothiophen-2-yl)methyl]-3-(4-chlorophenyl)-N-methylpropan-1-amine
CID 63521712
3-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-N-methylpropan-1-amine
CID 63523145
2-[(2-chlorophenyl)methyl]-N-propyl-4-thiophen-2-ylbutan-1-amine
CID 63775947
N-methyl-2-[(3-methylphenyl)methyl]-3-thiophen-2-ylpropan-1-amine
CID 55082726
1-(4-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 62502526

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-N-methyl-4-thiophen-2-ylbutan-1-amine?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-N-methyl-4-thiophen-2-ylbutan-1-amine (CID 63775752) is 2-[(4-chlorophenyl)methyl]-N-methyl-4-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-N-methyl-4-thiophen-2-ylbutan-1-amine?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-N-methyl-4-thiophen-2-ylbutan-1-amine is CNCC(CCc1cccs1)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-N-methyl-4-thiophen-2-ylbutan-1-amine?
The InChIKey is UIDQWMKNMMVIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNS/c1-18-12-14(6-9-16-3-2-10-19-16)11-13-4-7-15(17)8-5-13/h2-5,7-8,10,14,18H,6,9,11-12H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)methyl]-N-methyl-4-thiophen-2-ylbutan-1-amine?
2-[(4-chlorophenyl)methyl]-N-methyl-4-thiophen-2-ylbutan-1-amine has a molecular weight of 293.86 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-N-methyl-4-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 63775752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).