N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-3-methylaniline

C14H12BrFN2 — CID 9060487

IUPACN-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-3-methylaniline
SMILESCc1cccc(N/N=C\c2cc(Br)ccc2F)c1
InChIInChI=1S/C14H12BrFN2/c1-10-3-2-4-13(7-10)18-17-9-11-8-12(15)5-6-14(11)16/h2-9,18H,1H3/b17-9-
InChIKeyRDUGUTHHVWXAEE-MFOYZWKCSA-N
MW307.17 g/mol
LogP4.34
Rot. Bonds3

About N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-3-methylaniline

N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-3-methylaniline (PubChem CID 9060487) has the molecular formula C14H12BrFN2 and a molecular weight of 307.17 g/mol. Its IUPAC name is N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-3-methylaniline.

Molecular Properties

Compound NameN-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-3-methylaniline
PubChem CID9060487
Molecular FormulaC14H12BrFN2
Molecular Weight307.17 g/mol
Exact Mass306.02
IUPAC NameN-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-3-methylaniline
SMILESCc1cccc(N/N=C\c2cc(Br)ccc2F)c1
InChIInChI=1S/C14H12BrFN2/c1-10-3-2-4-13(7-10)18-17-9-11-8-12(15)5-6-14(11)16/h2-9,18H,1H3/b17-9-
InChIKeyRDUGUTHHVWXAEE-MFOYZWKCSA-N
XLogP4.34
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.17
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(2-fluoro-5-methylphenyl)methylideneamino]aniline
CID 169381612
N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-3-methylaniline
CID 9060518
3-methyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 9060609
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3-methylaniline
CID 9060596
N-[(2,5-difluorophenyl)methylideneamino]aniline
CID 169381510
ethane;N-[(Z)-ethylideneamino]-3-methylaniline
CID 142906604
N-[(E)-(2-fluorophenyl)methylideneamino]-3,4-dimethylaniline
CID 110504963
N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-nitroaniline
CID 9059022
methyl N-[(5-bromo-2-fluorophenyl)methylideneamino]carbamate
CID 3569932
N-[(E)-(2-bromo-4-methylphenyl)methylideneamino]-4-fluoroaniline
CID 11301243
N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2,6-dichloro-4-(trifluoromethyl)aniline
CID 46949285
N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3,4-dimethylaniline
CID 110504942

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-3-methylaniline?
The IUPAC name of N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-3-methylaniline (CID 9060487) is N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-3-methylaniline.
What is the SMILES notation for N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-3-methylaniline?
The canonical SMILES for N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-3-methylaniline is Cc1cccc(N/N=C\c2cc(Br)ccc2F)c1.
What is the InChIKey of N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-3-methylaniline?
The InChIKey is RDUGUTHHVWXAEE-MFOYZWKCSA-N. The full InChI is InChI=1S/C14H12BrFN2/c1-10-3-2-4-13(7-10)18-17-9-11-8-12(15)5-6-14(11)16/h2-9,18H,1H3/b17-9-.
What are the key properties of N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-3-methylaniline?
N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-3-methylaniline has a molecular weight of 307.17 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-3-methylaniline is sourced from PubChem (CID 9060487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).