N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine

C14H15BrN2O2S — CID 92658394

IUPACN-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine
SMILESCOc1ccc(CN/N=C\c2ccc(Br)s2)cc1OC
InChIInChI=1S/C14H15BrN2O2S/c1-18-12-5-3-10(7-13(12)19-2)8-16-17-9-11-4-6-14(15)20-11/h3-7,9,16H,8H2,1-2H3/b17-9-
InChIKeyPEBMYKDUZMNQDV-MFOYZWKCSA-N
MW355.26 g/mol
LogP3.65
Rot. Bonds6

About N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine

N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine (PubChem CID 92658394) has the molecular formula C14H15BrN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine
PubChem CID92658394
Molecular FormulaC14H15BrN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.00
IUPAC NameN-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine
SMILESCOc1ccc(CN/N=C\c2ccc(Br)s2)cc1OC
InChIInChI=1S/C14H15BrN2O2S/c1-18-12-5-3-10(7-13(12)19-2)8-16-17-9-11-4-6-14(15)20-11/h3-7,9,16H,8H2,1-2H3/b17-9-
InChIKeyPEBMYKDUZMNQDV-MFOYZWKCSA-N
XLogP3.65
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-[(Z)-(4-fluorophenyl)methylideneamino]methanamine
CID 92658261
N-[(Z)-[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine
CID 99944987
N-[(E)-[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine
CID 133171037
N-[(E)-(5-bromo-2-propan-2-yloxyphenyl)methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine
CID 133169137
1-(3,4-dimethoxyphenyl)-N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]methanamine
CID 133169001
4-[(Z)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]-2-iodo-6-methoxyphenol
CID 136727524
1-(3,4-dimethoxyphenyl)-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]methanamine
CID 92658396
1-(3,4-dimethoxyphenyl)-N-[(Z)-(2-propoxyphenyl)methylideneamino]methanamine
CID 92658395
2-(3,4-dimethoxyphenyl)-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]acetamide
CID 7339025
1-(3,4-dimethoxyphenyl)-N-[(E)-(4-ethoxy-3,5-diiodophenyl)methylideneamino]methanamine
CID 133169319
N-[(E)-[3-bromo-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine
CID 133171038
methyl 2-[2-bromo-4-[(E)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]-6-methoxyphenoxy]acetate
CID 133169184

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine?
The IUPAC name of N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine (CID 92658394) is N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine.
What is the SMILES notation for N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine?
The canonical SMILES for N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine is COc1ccc(CN/N=C\c2ccc(Br)s2)cc1OC.
What is the InChIKey of N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine?
The InChIKey is PEBMYKDUZMNQDV-MFOYZWKCSA-N. The full InChI is InChI=1S/C14H15BrN2O2S/c1-18-12-5-3-10(7-13(12)19-2)8-16-17-9-11-4-6-14(15)20-11/h3-7,9,16H,8H2,1-2H3/b17-9-.
What are the key properties of N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine?
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine has a molecular weight of 355.26 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine is sourced from PubChem (CID 92658394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).