N-[(E)-(3-bromophenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine

C15H15BrN2O — CID 17245736

IUPACN-[(E)-(3-bromophenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
SMILESCOc1ccccc1CN/N=C/c1cccc(Br)c1
InChIInChI=1S/C15H15BrN2O/c1-19-15-8-3-2-6-13(15)11-18-17-10-12-5-4-7-14(16)9-12/h2-10,18H,11H2,1H3/b17-10+
InChIKeyDJFRYYJJPATELJ-LICLKQGHSA-N
MW319.20 g/mol
LogP3.58
Rot. Bonds5

About N-[(E)-(3-bromophenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine

N-[(E)-(3-bromophenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine (PubChem CID 17245736) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is N-[(E)-(3-bromophenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(E)-(3-bromophenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
PubChem CID17245736
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC NameN-[(E)-(3-bromophenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
SMILESCOc1ccccc1CN/N=C/c1cccc(Br)c1
InChIInChI=1S/C15H15BrN2O/c1-19-15-8-3-2-6-13(15)11-18-17-10-12-5-4-7-14(16)9-12/h2-10,18H,11H2,1H3/b17-10+
InChIKeyDJFRYYJJPATELJ-LICLKQGHSA-N
XLogP3.58
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245582
N-[(Z)-(3-chlorophenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29147718
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29147432
2-bromo-4-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]-N,N-dimethylaniline
CID 29147760
N-[(Z)-(4-fluorophenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29147731
1-(2-methoxyphenyl)-N-[(Z)-(3-prop-2-ynoxyphenyl)methylideneamino]methanamine
CID 29147895
N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29147564
2-[3-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetic acid
CID 29148193
N-[(E)-[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245610
2-[[2-bromo-4-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]methyl]benzonitrile
CID 29147479
4-[[3-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]methyl]benzonitrile
CID 17245951
N-[(E)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245629

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-bromophenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine?
The IUPAC name of N-[(E)-(3-bromophenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine (CID 17245736) is N-[(E)-(3-bromophenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine.
What is the SMILES notation for N-[(E)-(3-bromophenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine?
The canonical SMILES for N-[(E)-(3-bromophenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine is COc1ccccc1CN/N=C/c1cccc(Br)c1.
What is the InChIKey of N-[(E)-(3-bromophenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine?
The InChIKey is DJFRYYJJPATELJ-LICLKQGHSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-19-15-8-3-2-6-13(15)11-18-17-10-12-5-4-7-14(16)9-12/h2-10,18H,11H2,1H3/b17-10+.
What are the key properties of N-[(E)-(3-bromophenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine?
N-[(E)-(3-bromophenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine has a molecular weight of 319.20 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-bromophenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine is sourced from PubChem (CID 17245736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).