N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-(4-chlorophenyl)ethanamine

C14H15BrClNS — CID 102830826

IUPACN-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-(4-chlorophenyl)ethanamine
SMILESCc1sc(CNCCc2ccc(Cl)cc2)cc1Br
InChIInChI=1S/C14H15BrClNS/c1-10-14(15)8-13(18-10)9-17-7-6-11-2-4-12(16)5-3-11/h2-5,8,17H,6-7,9H2,1H3
InChIKeyBVDSHPKQRYDWPZ-UHFFFAOYSA-N
MW344.71 g/mol
LogP4.80
Rot. Bonds5

About N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-(4-chlorophenyl)ethanamine

N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-(4-chlorophenyl)ethanamine (PubChem CID 102830826) has the molecular formula C14H15BrClNS and a molecular weight of 344.71 g/mol. Its IUPAC name is N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-(4-chlorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-(4-chlorophenyl)ethanamine
PubChem CID102830826
Molecular FormulaC14H15BrClNS
Molecular Weight344.71 g/mol
Exact Mass342.98
IUPAC NameN-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-(4-chlorophenyl)ethanamine
SMILESCc1sc(CNCCc2ccc(Cl)cc2)cc1Br
InChIInChI=1S/C14H15BrClNS/c1-10-14(15)8-13(18-10)9-17-7-6-11-2-4-12(16)5-3-11/h2-5,8,17H,6-7,9H2,1H3
InChIKeyBVDSHPKQRYDWPZ-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.71
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-(3-fluorophenyl)ethanamine
CID 102831664
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-(3,4-dimethoxyphenyl)ethanamine
CID 102830092
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-(2-methoxyphenyl)ethanamine
CID 106259683
1-(4-chlorophenyl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine
CID 102831355
2-(4-chlorophenyl)-N-[(3,5-dimethylphenyl)methyl]ethanamine
CID 60687979
N-[(4,5-dibromothiophen-2-yl)methyl]-2-phenylethanamine
CID 102830487
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-ethoxyethanamine
CID 102831713
2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine;hydrochloride
CID 17206419
2-(5-bromothiophen-2-yl)-N-[(4-chlorophenyl)methyl]ethanamine
CID 113227156
2-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]ethoxy]ethanol
CID 102831297
5-[[2-(4-chlorophenyl)ethylamino]methyl]thiophene-2-carbonitrile
CID 115675333
4-[2-[(4,5-dibromothiophen-2-yl)methylamino]ethyl]benzenesulfonamide
CID 102835092

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-(4-chlorophenyl)ethanamine?
The IUPAC name of N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-(4-chlorophenyl)ethanamine (CID 102830826) is N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-(4-chlorophenyl)ethanamine.
What is the SMILES notation for N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-(4-chlorophenyl)ethanamine?
The canonical SMILES for N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-(4-chlorophenyl)ethanamine is Cc1sc(CNCCc2ccc(Cl)cc2)cc1Br.
What is the InChIKey of N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-(4-chlorophenyl)ethanamine?
The InChIKey is BVDSHPKQRYDWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNS/c1-10-14(15)8-13(18-10)9-17-7-6-11-2-4-12(16)5-3-11/h2-5,8,17H,6-7,9H2,1H3.
What are the key properties of N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-(4-chlorophenyl)ethanamine?
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-(4-chlorophenyl)ethanamine has a molecular weight of 344.71 g/mol, XLogP of 4.80, 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-methylthiophen-2-yl)methyl]-2-(4-chlorophenyl)ethanamine is sourced from PubChem (CID 102830826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).