N-[(3,5-dichlorophenyl)methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine

C15H17Cl2NS — CID 60790289

IUPACN-[(3,5-dichlorophenyl)methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine
SMILESCc1cc(C(C)NCc2cc(Cl)cc(Cl)c2)c(C)s1
InChIInChI=1S/C15H17Cl2NS/c1-9-4-15(11(3)19-9)10(2)18-8-12-5-13(16)7-14(17)6-12/h4-7,10,18H,8H2,1-3H3
InChIKeyFXOZEIFCKRYNRM-UHFFFAOYSA-N
MW314.28 g/mol
LogP5.52
Rot. Bonds4

About N-[(3,5-dichlorophenyl)methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine

N-[(3,5-dichlorophenyl)methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine (PubChem CID 60790289) has the molecular formula C15H17Cl2NS and a molecular weight of 314.28 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine
PubChem CID60790289
Molecular FormulaC15H17Cl2NS
Molecular Weight314.28 g/mol
Exact Mass313.05
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine
SMILESCc1cc(C(C)NCc2cc(Cl)cc(Cl)c2)c(C)s1
InChIInChI=1S/C15H17Cl2NS/c1-9-4-15(11(3)19-9)10(2)18-8-12-5-13(16)7-14(17)6-12/h4-7,10,18H,8H2,1-3H3
InChIKeyFXOZEIFCKRYNRM-UHFFFAOYSA-N
XLogP5.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.28
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,6-dichlorophenyl)methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine
CID 43432404
3,5-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline
CID 43101504
4-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]benzene-1,2-diol
CID 43432460
N-[(2-chloro-4-methylphenyl)methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine
CID 106862491
4-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]benzoic acid
CID 62217801
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine
CID 43200455
1-(2,5-dimethylthiophen-3-yl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
CID 66415731
N-[(2,6-difluorophenyl)methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine
CID 43737410
(1R)-N-[(3,5-dichlorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81348826
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,2,2-trifluoroethanamine
CID 43200476
(1S)-1-(2-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]ethanamine
CID 81382922
1-(3-chlorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-2-amine
CID 43694717

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine (CID 60790289) is N-[(3,5-dichlorophenyl)methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine is Cc1cc(C(C)NCc2cc(Cl)cc(Cl)c2)c(C)s1.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine?
The InChIKey is FXOZEIFCKRYNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NS/c1-9-4-15(11(3)19-9)10(2)18-8-12-5-13(16)7-14(17)6-12/h4-7,10,18H,8H2,1-3H3.
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine?
N-[(3,5-dichlorophenyl)methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine has a molecular weight of 314.28 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine is sourced from PubChem (CID 60790289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).