N-[(2,5-dichlorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine

C14H15Cl2NS — CID 65316176

IUPACN-[(2,5-dichlorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
SMILESCc1ccc(C(C)NCc2cc(Cl)ccc2Cl)s1
InChIInChI=1S/C14H15Cl2NS/c1-9-3-6-14(18-9)10(2)17-8-11-7-12(15)4-5-13(11)16/h3-7,10,17H,8H2,1-2H3
InChIKeyQMPPPBLBJFVOJX-UHFFFAOYSA-N
MW300.25 g/mol
LogP5.21
Rot. Bonds4

About N-[(2,5-dichlorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine

N-[(2,5-dichlorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine (PubChem CID 65316176) has the molecular formula C14H15Cl2NS and a molecular weight of 300.25 g/mol. Its IUPAC name is N-[(2,5-dichlorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(2,5-dichlorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
PubChem CID65316176
Molecular FormulaC14H15Cl2NS
Molecular Weight300.25 g/mol
Exact Mass299.03
IUPAC NameN-[(2,5-dichlorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
SMILESCc1ccc(C(C)NCc2cc(Cl)ccc2Cl)s1
InChIInChI=1S/C14H15Cl2NS/c1-9-3-6-14(18-9)10(2)17-8-11-7-12(15)4-5-13(11)16/h3-7,10,17H,8H2,1-2H3
InChIKeyQMPPPBLBJFVOJX-UHFFFAOYSA-N
XLogP5.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.25
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 62539090
1-(2,5-dichlorophenyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]ethanol
CID 61473675
N-[(2,5-dichlorophenyl)methyl]-1-(5-methylthiophen-2-yl)methanamine
CID 65316186
(1R)-N-[(2,5-dichlorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81356867
N-[(3-chloro-4-methylphenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 106816707
N-[(4-chlorothiophen-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 79419831
N-[(2,5-dichlorophenyl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 65315816
N-[(3,4-difluorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 54952885
1-(5-methylthiophen-2-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 61472993
(1R)-1-(4-bromophenyl)-N-[(2,5-dichlorophenyl)methyl]ethanamine
CID 81360024
N-[(2,5-dichlorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 65316008
1-chloro-N-[(2,5-dichlorophenyl)methyl]-3-methylbutan-2-amine
CID 79244144

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine?
The IUPAC name of N-[(2,5-dichlorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine (CID 65316176) is N-[(2,5-dichlorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for N-[(2,5-dichlorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine?
The canonical SMILES for N-[(2,5-dichlorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine is Cc1ccc(C(C)NCc2cc(Cl)ccc2Cl)s1.
What is the InChIKey of N-[(2,5-dichlorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine?
The InChIKey is QMPPPBLBJFVOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NS/c1-9-3-6-14(18-9)10(2)17-8-11-7-12(15)4-5-13(11)16/h3-7,10,17H,8H2,1-2H3.
What are the key properties of N-[(2,5-dichlorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine?
N-[(2,5-dichlorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine has a molecular weight of 300.25 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 65316176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).