N-[(5-bromothiophen-2-yl)-(3-chloro-5-methylphenyl)methyl]ethanamine

C14H15BrClNS — CID 81323789

IUPACN-[(5-bromothiophen-2-yl)-(3-chloro-5-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)cc(Cl)c1)c1ccc(Br)s1
InChIInChI=1S/C14H15BrClNS/c1-3-17-14(12-4-5-13(15)18-12)10-6-9(2)7-11(16)8-10/h4-8,14,17H,3H2,1-2H3
InChIKeyDQBHTBASAHRFQP-UHFFFAOYSA-N
MW344.71 g/mol
LogP5.17
Rot. Bonds4

About N-[(5-bromothiophen-2-yl)-(3-chloro-5-methylphenyl)methyl]ethanamine

N-[(5-bromothiophen-2-yl)-(3-chloro-5-methylphenyl)methyl]ethanamine (PubChem CID 81323789) has the molecular formula C14H15BrClNS and a molecular weight of 344.71 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)-(3-chloro-5-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)-(3-chloro-5-methylphenyl)methyl]ethanamine
PubChem CID81323789
Molecular FormulaC14H15BrClNS
Molecular Weight344.71 g/mol
Exact Mass342.98
IUPAC NameN-[(5-bromothiophen-2-yl)-(3-chloro-5-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)cc(Cl)c1)c1ccc(Br)s1
InChIInChI=1S/C14H15BrClNS/c1-3-17-14(12-4-5-13(15)18-12)10-6-9(2)7-11(16)8-10/h4-8,14,17H,3H2,1-2H3
InChIKeyDQBHTBASAHRFQP-UHFFFAOYSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.71
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chlorothiophen-2-yl)-(3,5-dichlorophenyl)methyl]ethanamine
CID 43492083
N-[(3,5-dichlorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 43488451
N-[(4,5-dibromothiophen-2-yl)-(3,5-dichlorophenyl)methyl]ethanamine
CID 80533941
N-[(3-chloro-4-methylphenyl)-(3-chloro-5-methylphenyl)methyl]ethanamine
CID 107562129
N-[(3-chloro-5-methylphenyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 81324084
N-[(5-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methyl]ethanamine
CID 79724246
N-[(5-bromothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methyl]ethanamine
CID 80533919
N-[(3-chloro-5-methylphenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 104990354
N-[(3,5-dichlorophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 105016496
N-[(5-bromothiophen-2-yl)-(2-methylphenyl)methyl]ethanamine
CID 61103990
N-[(3-chloro-5-methylphenyl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine
CID 107516087
N-[(5-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methyl]ethanamine
CID 61104179

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)-(3-chloro-5-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(5-bromothiophen-2-yl)-(3-chloro-5-methylphenyl)methyl]ethanamine (CID 81323789) is N-[(5-bromothiophen-2-yl)-(3-chloro-5-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)-(3-chloro-5-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)-(3-chloro-5-methylphenyl)methyl]ethanamine is CCNC(c1cc(C)cc(Cl)c1)c1ccc(Br)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)-(3-chloro-5-methylphenyl)methyl]ethanamine?
The InChIKey is DQBHTBASAHRFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNS/c1-3-17-14(12-4-5-13(15)18-12)10-6-9(2)7-11(16)8-10/h4-8,14,17H,3H2,1-2H3.
What are the key properties of N-[(5-bromothiophen-2-yl)-(3-chloro-5-methylphenyl)methyl]ethanamine?
N-[(5-bromothiophen-2-yl)-(3-chloro-5-methylphenyl)methyl]ethanamine has a molecular weight of 344.71 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)-(3-chloro-5-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 81323789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).