Methanamine, N-[(4-bromophenyl)methylene]-

C8H8BrN — CID 12236908

IUPAC1-(4-bromophenyl)-N-methylmethanimine
SMILESCN=CC1=CC=C(C=C1)Br
InChIInChI=1S/C8H8BrN/c1-10-6-7-2-4-8(9)5-3-7/h2-6H,1H3
InChIKeyCZZJIBWMHRJEEM-UHFFFAOYSA-N
MW198.06 g/mol
LogP2.30
Rot. Bonds1

About Methanamine, N-[(4-bromophenyl)methylene]-

Methanamine, N-[(4-bromophenyl)methylene]- (PubChem CID 12236908) has the molecular formula C8H8BrN and a molecular weight of 198.06 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-methylmethanimine.

Molecular Properties

Compound NameMethanamine, N-[(4-bromophenyl)methylene]-
PubChem CID12236908
Molecular FormulaC8H8BrN
Molecular Weight198.06 g/mol
Exact Mass196.98
IUPAC Name1-(4-bromophenyl)-N-methylmethanimine
SMILESCN=CC1=CC=C(C=C1)Br
InChIInChI=1S/C8H8BrN/c1-10-6-7-2-4-8(9)5-3-7/h2-6H,1H3
InChIKeyCZZJIBWMHRJEEM-UHFFFAOYSA-N
XLogP2.30
TPSA12.40 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity114

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.06
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Methanamine, N-(phenylmethylene)-
CID 73954
Ethanamine, N-(phenylmethylene)-
CID 111239
N-[(4-bromophenyl)methylidene]hydroxylamine
CID 5375575
N-Benzylidenepropylamine
CID 250250
2-[(E)-(4-bromophenyl)methylideneamino]guanidine;hydrochloride
CID 56642875
(1E,2E)-1,2-bis(4-bromobenzylidene)hydrazine
CID 6894308
4-Bromobenzaldehyde Oxime
CID 608088
7-Bromo-3,4-dihydroisoquinoline
CID 12000034
p-Bromobenzylidene-benzyl-amine
CID 525665
(2E)-2-(4-bromobenzylidene)hydrazinecarboximidamide
CID 9561657
4-Bromo-2-fluorobenzaldehyde oxime
CID 2773325
4-Bromo-2-fluorobenzaldoxime
CID 9582084

Frequently Asked Questions

What is the IUPAC name of Methanamine, N-[(4-bromophenyl)methylene]-?
The IUPAC name of Methanamine, N-[(4-bromophenyl)methylene]- (CID 12236908) is 1-(4-bromophenyl)-N-methylmethanimine.
What is the SMILES notation for Methanamine, N-[(4-bromophenyl)methylene]-?
The canonical SMILES for Methanamine, N-[(4-bromophenyl)methylene]- is CN=CC1=CC=C(C=C1)Br.
What is the InChIKey of Methanamine, N-[(4-bromophenyl)methylene]-?
The InChIKey is CZZJIBWMHRJEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN/c1-10-6-7-2-4-8(9)5-3-7/h2-6H,1H3.
What are the key properties of Methanamine, N-[(4-bromophenyl)methylene]-?
Methanamine, N-[(4-bromophenyl)methylene]- has a molecular weight of 198.06 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Methanamine, N-[(4-bromophenyl)methylene]- is sourced from PubChem (CID 12236908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).