N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-propylaniline

C14H15BrClNS — CID 102832325

IUPACN-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-propylaniline
SMILESCCCc1ccccc1NCc1cc(Br)c(Cl)s1
InChIInChI=1S/C14H15BrClNS/c1-2-5-10-6-3-4-7-13(10)17-9-11-8-12(15)14(16)18-11/h3-4,6-8,17H,2,5,9H2,1H3
InChIKeyYMIKDAAPTHSFII-UHFFFAOYSA-N
MW344.71 g/mol
LogP5.73
Rot. Bonds5

About N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-propylaniline

N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-propylaniline (PubChem CID 102832325) has the molecular formula C14H15BrClNS and a molecular weight of 344.71 g/mol. Its IUPAC name is N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-propylaniline.

Molecular Properties

Compound NameN-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-propylaniline
PubChem CID102832325
Molecular FormulaC14H15BrClNS
Molecular Weight344.71 g/mol
Exact Mass342.98
IUPAC NameN-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-propylaniline
SMILESCCCc1ccccc1NCc1cc(Br)c(Cl)s1
InChIInChI=1S/C14H15BrClNS/c1-2-5-10-6-3-4-7-13(10)17-9-11-8-12(15)14(16)18-11/h3-4,6-8,17H,2,5,9H2,1H3
InChIKeyYMIKDAAPTHSFII-UHFFFAOYSA-N
XLogP5.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.71
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromo-5-chlorothiophen-2-yl)methyl]naphthalen-1-amine
CID 102830047
N-[(4,5-dibromothiophen-2-yl)methyl]-2-ethylaniline
CID 102830609
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]aniline
CID 102829948
N-[(4,5-dibromothiophen-2-yl)methyl]-2-(2-methoxyethyl)aniline
CID 102903881
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-nitroaniline
CID 102832918
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-4-chloro-2-methylaniline
CID 102830756
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-pyrazol-1-ylaniline
CID 102832685
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-4-phenylaniline
CID 102832866
3-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-N,2-dimethylbenzamide
CID 102833523
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-2-propylaniline
CID 63433971
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-6-chloro-1,3-benzodioxol-5-amine
CID 102832259
2,4-dichloro-6-[(2-propylanilino)methyl]phenol
CID 43687415

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-propylaniline?
The IUPAC name of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-propylaniline (CID 102832325) is N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-propylaniline.
What is the SMILES notation for N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-propylaniline?
The canonical SMILES for N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-propylaniline is CCCc1ccccc1NCc1cc(Br)c(Cl)s1.
What is the InChIKey of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-propylaniline?
The InChIKey is YMIKDAAPTHSFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNS/c1-2-5-10-6-3-4-7-13(10)17-9-11-8-12(15)14(16)18-11/h3-4,6-8,17H,2,5,9H2,1H3.
What are the key properties of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-propylaniline?
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-propylaniline has a molecular weight of 344.71 g/mol, XLogP of 5.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-propylaniline is sourced from PubChem (CID 102832325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).