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

C11H9BrClNS — CID 102829948

IUPACN-[(4-bromo-5-chlorothiophen-2-yl)methyl]aniline
SMILESClc1sc(CNc2ccccc2)cc1Br
InChIInChI=1S/C11H9BrClNS/c12-10-6-9(15-11(10)13)7-14-8-4-2-1-3-5-8/h1-6,14H,7H2
InChIKeyTUDNFNRMKLWNNQ-UHFFFAOYSA-N
MW302.62 g/mol
LogP4.78
Rot. Bonds3

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

N-[(4-bromo-5-chlorothiophen-2-yl)methyl]aniline (PubChem CID 102829948) has the molecular formula C11H9BrClNS and a molecular weight of 302.62 g/mol. Its IUPAC name is N-[(4-bromo-5-chlorothiophen-2-yl)methyl]aniline.

Molecular Properties

Compound NameN-[(4-bromo-5-chlorothiophen-2-yl)methyl]aniline
PubChem CID102829948
Molecular FormulaC11H9BrClNS
Molecular Weight302.62 g/mol
Exact Mass300.93
IUPAC NameN-[(4-bromo-5-chlorothiophen-2-yl)methyl]aniline
SMILESClc1sc(CNc2ccccc2)cc1Br
InChIInChI=1S/C11H9BrClNS/c12-10-6-9(15-11(10)13)7-14-8-4-2-1-3-5-8/h1-6,14H,7H2
InChIKeyTUDNFNRMKLWNNQ-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.62
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-4-phenylaniline
CID 102832866
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-4-methylsulfanylaniline
CID 102830221
3-[(4-bromo-5-chlorothiophen-2-yl)methylamino]benzamide
CID 102830891
4-bromo-N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-3-fluoroaniline
CID 102836173
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-3,5-dichloro-4-fluoroaniline
CID 107572582
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]naphthalen-1-amine
CID 102830047
6-bromo-N-[(4-bromo-5-chlorothiophen-2-yl)methyl]naphthalen-2-amine
CID 102836645
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-3-chloro-4-methylaniline
CID 102830042
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline
CID 102832473
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-3-(2-methoxyethoxy)aniline
CID 102834449
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]quinoxalin-6-amine
CID 102834356
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-propylaniline
CID 102832325

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]aniline?
The IUPAC name of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]aniline (CID 102829948) is N-[(4-bromo-5-chlorothiophen-2-yl)methyl]aniline.
What is the SMILES notation for N-[(4-bromo-5-chlorothiophen-2-yl)methyl]aniline?
The canonical SMILES for N-[(4-bromo-5-chlorothiophen-2-yl)methyl]aniline is Clc1sc(CNc2ccccc2)cc1Br.
What is the InChIKey of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]aniline?
The InChIKey is TUDNFNRMKLWNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClNS/c12-10-6-9(15-11(10)13)7-14-8-4-2-1-3-5-8/h1-6,14H,7H2.
What are the key properties of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]aniline?
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]aniline has a molecular weight of 302.62 g/mol, XLogP of 4.78, 3 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]aniline is sourced from PubChem (CID 102829948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).