N-[(2-chloro-4-methoxyphenyl)-(5-chlorothiophen-2-yl)methyl]propan-1-amine

C15H17Cl2NOS — CID 63503730

IUPACN-[(2-chloro-4-methoxyphenyl)-(5-chlorothiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)s1)c1ccc(OC)cc1Cl
InChIInChI=1S/C15H17Cl2NOS/c1-3-8-18-15(13-6-7-14(17)20-13)11-5-4-10(19-2)9-12(11)16/h4-7,9,15,18H,3,8H2,1-2H3
InChIKeyJGKWEXIYOIPJRB-UHFFFAOYSA-N
MW330.28 g/mol
LogP5.15
Rot. Bonds6

About N-[(2-chloro-4-methoxyphenyl)-(5-chlorothiophen-2-yl)methyl]propan-1-amine

N-[(2-chloro-4-methoxyphenyl)-(5-chlorothiophen-2-yl)methyl]propan-1-amine (PubChem CID 63503730) has the molecular formula C15H17Cl2NOS and a molecular weight of 330.28 g/mol. Its IUPAC name is N-[(2-chloro-4-methoxyphenyl)-(5-chlorothiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-4-methoxyphenyl)-(5-chlorothiophen-2-yl)methyl]propan-1-amine
PubChem CID63503730
Molecular FormulaC15H17Cl2NOS
Molecular Weight330.28 g/mol
Exact Mass329.04
IUPAC NameN-[(2-chloro-4-methoxyphenyl)-(5-chlorothiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)s1)c1ccc(OC)cc1Cl
InChIInChI=1S/C15H17Cl2NOS/c1-3-8-18-15(13-6-7-14(17)20-13)11-5-4-10(19-2)9-12(11)16/h4-7,9,15,18H,3,8H2,1-2H3
InChIKeyJGKWEXIYOIPJRB-UHFFFAOYSA-N
XLogP5.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.28
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-4-methoxyphenyl)-(2,5-dibromothiophen-3-yl)methyl]propan-1-amine
CID 107960852
N-[(2-chloro-4-methoxyphenyl)-(2-chlorophenyl)methyl]propan-1-amine
CID 43562132
N-[(5-bromothiophen-2-yl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine
CID 43562077
N-[(2-chloro-4-methoxyphenyl)-(3-chlorophenyl)methyl]propan-1-amine
CID 43562127
N-[(2-chloro-4-methoxyphenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 43562123
1-(2-bromo-4-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine
CID 62278586
1-(2-chloro-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43562163
N-[(2-bromo-5-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]propan-1-amine
CID 43497043
N-[(3-bromo-4-ethoxyphenyl)-(5-chlorothiophen-2-yl)methyl]propan-1-amine
CID 104657731
N-[(4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 43561563
4-[(5-chlorothiophen-2-yl)-(propylamino)methyl]-N,N-dimethylaniline
CID 105173433
N-[(2-chloro-4,5-dimethylphenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine
CID 115483998

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-methoxyphenyl)-(5-chlorothiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-chloro-4-methoxyphenyl)-(5-chlorothiophen-2-yl)methyl]propan-1-amine (CID 63503730) is N-[(2-chloro-4-methoxyphenyl)-(5-chlorothiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-chloro-4-methoxyphenyl)-(5-chlorothiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-chloro-4-methoxyphenyl)-(5-chlorothiophen-2-yl)methyl]propan-1-amine is CCCNC(c1ccc(Cl)s1)c1ccc(OC)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-methoxyphenyl)-(5-chlorothiophen-2-yl)methyl]propan-1-amine?
The InChIKey is JGKWEXIYOIPJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NOS/c1-3-8-18-15(13-6-7-14(17)20-13)11-5-4-10(19-2)9-12(11)16/h4-7,9,15,18H,3,8H2,1-2H3.
What are the key properties of N-[(2-chloro-4-methoxyphenyl)-(5-chlorothiophen-2-yl)methyl]propan-1-amine?
N-[(2-chloro-4-methoxyphenyl)-(5-chlorothiophen-2-yl)methyl]propan-1-amine has a molecular weight of 330.28 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-methoxyphenyl)-(5-chlorothiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 63503730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).